data_5mcs_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 5mcs _Structure_validation_residue.Date_analyzed 2017-04-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 51.7 -90.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 1.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -56.01 -30.15 56.79 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.46 -35.93 91.95 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.71 -27.55 69.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 1.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.3 mt -88.01 -44.86 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' C ' ' CD2' ' A' ' 31' ' ' PHE . 2.9 t80 -67.51 -25.04 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -92.0 45.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -171.48 -39.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -104.77 3.1 30.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 109.575 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 3.6 m -140.82 -47.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.26 -36.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.02 47.98 3.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.28 -31.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.8 m-70 -116.95 61.22 2.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 65.0 Cg_endo -73.47 114.96 4.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.289 3.326 . . . . 1.0 109.63 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 54.68 58.41 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 110.274 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.49 30.06 1.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 1.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.82 -148.93 18.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.5 m120 -158.03 142.62 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 p -110.72 -2.8 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.0 t -114.08 -57.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 49.2 m170 -115.9 115.91 40.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.6 14.46 2.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.302 3.335 . . . . 1.0 109.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -122.73 -3.11 8.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 14.1 mmtt -124.94 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -99.08 -179.01 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -89.58 16.37 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 1.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.43 129.08 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLU . 15.0 ttp180 -52.38 -44.32 65.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.2 -38.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 -48.79 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.52 -18.16 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 1.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -78.16 -47.06 18.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.78 -53.23 26.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.472 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.6 m-80 -78.62 -32.48 47.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.15 80.71 1.26 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 1.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 5.8 mt -142.94 61.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HE ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -120.19 57.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.0 p -151.31 158.87 44.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 37.9 t -69.61 -59.17 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ASP . 41.7 mtt-85 -44.29 -64.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' ARG . 2.0 m-20 -35.83 -37.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 66' ' ' ARG . 75.0 t -89.02 52.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -164.9 -41.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 1.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -75.07 -65.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -44.23 -55.43 4.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.839 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 73' ' ' ARG . 5.9 pt -42.2 -35.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -58.81 -64.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.77 74.7 75.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -82.23 174.8 9.66 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.339 3.36 . . . . 1.0 109.535 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.91 -171.34 47.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 1.0 110.997 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.59 154.83 51.65 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.303 3.335 . . . . 1.0 109.61 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.99 -34.53 4.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 1.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.565 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.84 129.76 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.006 0.908 . . . . 1.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.7 Cg_exo -53.9 -147.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.301 3.334 . . . . 1.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.48 165.07 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -145.84 103.81 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.53 -173.77 49.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 1.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -85.85 12.51 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 1.0 110.376 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.05 -42.9 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 tpp -101.68 -55.3 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 mt -119.25 116.64 33.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.73 149.17 42.69 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.54 -41.43 60.61 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.296 3.331 . . . . 1.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.29 70.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.57 -11.11 54.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 1.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.52 -38.4 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.48 -15.37 26.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.11 -29.6 23.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.4 mm -72.63 -45.9 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -47.7 -25.73 3.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 1.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.1 mt-10 -67.55 -50.99 55.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.108 0.956 . . . . 1.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 59.1 t80 -47.49 -27.58 1.82 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.981 -1.008 . . . . 1.0 109.846 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.523 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 69.8 t -97.75 35.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 74.3 t -148.14 20.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 27.98 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.436 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 35.6 p -161.16 -43.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 1.0 110.053 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -155.28 77.8 4.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 111.035 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.448 -1.187 0 C-N-CA 124.34 3.36 . . . . 1.0 109.566 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.515 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.34 -88.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.65 -27.62 58.99 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.21 -44.42 35.2 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.18 -25.05 45.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.7 mt -85.43 -45.63 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 2.7 t80 -70.42 -23.73 62.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -93.14 45.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -171.31 -39.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 1.0 110.384 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -102.49 -5.7 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ALA . 3.6 m -131.82 -47.15 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -37.78 -34.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.21 46.87 3.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 1.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.7 -31.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.4 m-70 -116.94 61.09 2.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 65.9 Cg_endo -73.28 109.07 2.76 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.28 3.32 . . . . 1.0 109.616 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' C ' ' N ' ' A' ' 43' ' ' GLY . 7.6 mm100 59.61 62.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.22 28.48 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -104.3 -155.75 23.56 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 7.1 m120 -153.82 143.14 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 1.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -110.21 -4.27 15.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 47' ' ' HIS . 87.8 t -113.56 -57.52 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.443 ' CD2' HG11 ' A' ' 46' ' ' VAL . 46.8 m170 -116.3 112.19 41.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 1.0 109.622 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.86 16.29 2.01 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.373 3.382 . . . . 1.0 109.626 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.2 mm-40 -121.71 -4.09 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -124.02 83.98 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 p -94.89 177.31 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' NE ' ' A' ' 57' ' ' ARG . 94.0 mt -89.9 15.69 9.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 1.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.84 129.17 35.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -50.54 -47.57 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.37 -40.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 16.1 mmt85 -88.19 -45.99 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CG ' ' HB ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.23 -17.86 13.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -78.33 -46.96 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.51 -53.71 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.513 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.5 m-80 -78.32 -33.1 49.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.511 ' CA ' ' NH1' ' A' ' 63' ' ' ARG . . . 88.09 81.41 1.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' HB ' ' CG ' ' A' ' 57' ' ' ARG . 4.0 mt -142.13 57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.511 ' NH1' ' CA ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -117.46 59.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.5 p -153.69 151.33 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.419 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.47 -51.17 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -47.26 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 66' ' ' ARG . 29.7 m-20 -36.74 -40.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.08 51.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.442 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.62 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.75 -65.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -44.84 -55.93 4.96 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.855 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.442 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.1 pt -40.57 -36.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.2 tmt_? -61.25 -64.78 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.68 76.4 74.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -84.76 175.15 7.06 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.283 3.322 . . . . 1.0 109.58 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.52 -175.01 43.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.38 153.57 17.13 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.336 3.358 . . . . 1.0 109.603 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.34 -35.02 4.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.555 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -122.14 131.32 24.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 122.041 0.924 . . . . 1.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.555 ' O ' ' O ' ' A' ' 79' ' ' MET . 39.2 Cg_exo -54.48 -145.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.335 3.357 . . . . 1.0 109.561 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.66 169.47 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.85 104.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.49 -168.76 32.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.76 7.7 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 1.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.26 74.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.8 ttm -115.74 -53.81 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mt -117.85 116.36 36.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.503 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 59.9 Cg_endo -73.44 149.39 44.53 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.301 3.334 . . . . 1.0 109.599 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.71 -41.67 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.305 3.336 . . . . 1.0 109.587 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.91 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 109.316 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.503 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 35.3 m-20 -82.23 -11.89 58.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 1.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.21 -39.08 23.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 mt -60.13 -15.93 27.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -29.81 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.7 mm -71.81 -44.69 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.06 -25.13 3.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 1.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -68.02 -52.43 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.1 0.952 . . . . 1.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 63.4 t80 -48.73 -26.93 2.58 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.803 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 73.9 t -97.2 32.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 72.7 t -148.68 21.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.71 33.66 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -165.32 -42.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 1.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -156.93 72.22 4.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.448 -1.187 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.617 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.94 -65.66 0.82 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 1.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.83 -28.63 53.1 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 98' ' ' TYR . . . -72.41 -46.63 32.32 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.0 -20.45 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 1.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 29.8 mt -88.3 -42.04 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CD2' ' CE2' ' A' ' 98' ' ' TYR . 2.0 t80 -69.63 -25.29 63.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -91.55 45.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -169.5 -40.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 1.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -103.06 -5.8 22.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.614 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 36' ' ' ALA . 3.6 m -130.28 -46.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.67 -35.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 1.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.81 47.54 3.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 1.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.449 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.43 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.9 m-70 -116.87 61.24 2.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 64.2 Cg_endo -73.53 113.96 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.318 3.346 . . . . 1.0 109.624 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 55.47 58.29 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.302 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.4 30.25 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 1.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.85 -151.87 21.32 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.0 m120 -157.24 144.18 18.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 1.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.8 p -113.14 -4.9 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.5 t -111.14 -57.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.416 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 48.8 m170 -116.41 115.95 39.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 1.0 109.565 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -87.76 14.03 2.47 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.362 3.374 . . . . 1.0 109.607 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.18 -3.87 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.4 mmtt -124.68 87.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -99.91 -179.57 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 88.8 mt -89.76 16.29 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.98 128.72 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.3 ttm180 -50.22 -50.0 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 1.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -40.0 -36.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -51.34 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' NH1' ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -54.86 -18.41 4.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -79.1 -47.35 16.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 1.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -48.57 -52.38 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.451 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.8 m-80 -78.78 -27.68 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.47 80.94 0.82 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 1.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.469 HD11 ' CGA' ' A' ' 201' ' ' HEC . 3.9 mt -138.1 55.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 0.803 . . . . 1.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.449 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.4 OUTLIER -114.18 59.06 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 30.8 p -155.22 146.02 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 110.42 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -60.17 -52.62 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 67' ' ' ASP . 58.2 mtt85 -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.1 m-20 -37.16 -42.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 30.7 t -85.62 52.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.81 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.54 -65.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 1.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -44.44 -55.81 4.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.886 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' CA ' ' A' ' 69' ' ' ALA . 5.5 pt -39.77 -36.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 1.4 ttt180 -58.35 -62.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.62 74.3 74.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -81.99 175.4 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 1.0 109.575 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.63 -171.07 47.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.85 155.74 52.86 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.326 3.35 . . . . 1.0 109.58 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.61 -34.16 4.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.21 129.57 25.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.14 0.971 . . . . 1.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.1 Cg_exo -53.79 -147.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.304 3.336 . . . . 1.0 109.623 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.67 161.49 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -142.11 101.97 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 1.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.92 -171.5 37.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' HG2' ' CD ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -76.65 1.62 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 1.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.52 97.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.2 ttm -116.56 -54.24 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -117.76 116.55 36.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.508 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 61.2 Cg_endo -73.72 149.32 42.97 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.44 ' CD ' ' HG2' ' A' ' 84' ' ' GLU . 9.9 Cg_endo -52.03 -41.7 62.8 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.18 -25.09 68.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.508 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 48.9 m-20 -90.78 -8.3 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.81 -31.44 19.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.8 -18.7 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -86.15 -19.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 12.7 mm -78.28 -49.97 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.422 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -46.21 -25.98 2.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 1.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -66.13 -48.83 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.103 0.954 . . . . 1.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 63.4 t80 -49.6 -27.89 5.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.536 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 61.3 t -96.01 30.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 60.6 t -137.18 12.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.07 49.15 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.77 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -167.92 75.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.269 3.313 . . . . 1.0 109.631 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.502 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.8 -78.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.449 ' N ' ' HZ1' ' A' ' 94' ' ' LYS . . . -52.45 -25.88 21.36 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 98' ' ' TYR . . . -70.48 -47.65 41.31 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.71 -27.49 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 14.2 mt -81.86 -40.39 22.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' ' CE1' ' A' ' 98' ' ' TYR . 2.1 t80 -69.96 -23.67 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -92.49 45.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.94 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -103.4 -4.73 23.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.599 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -131.75 -47.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.94 -35.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.65 47.67 3.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.14 . . . . 1.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.24 -31.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.0 m-70 -116.96 60.79 2.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 63.1 Cg_endo -73.72 118.85 5.62 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.313 3.342 . . . . 1.0 109.642 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.8 55.95 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.91 31.54 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.48 -149.97 17.32 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.2 m120 -157.42 144.33 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 1.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.6 p -112.92 -4.11 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 1.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.9 t -111.12 -55.31 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.9 m170 -116.06 114.86 41.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.611 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -86.05 16.51 1.95 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.315 3.343 . . . . 1.0 109.6 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.11 4.24 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -130.17 91.74 3.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 1.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 29.3 p -101.95 -175.27 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 1.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -93.48 19.53 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 129.48 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 1.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -53.96 -41.16 67.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.77 -41.24 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' CB ' ' NH1' ' A' ' 57' ' ' ARG . 32.7 mmt-85 -86.1 -44.43 12.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.56 ' NH2' ' CBA' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -58.55 -18.88 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -79.69 -47.52 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.4 -50.78 21.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -79.68 -29.98 40.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.74 73.63 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 14.5 mt -135.7 57.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.2 58.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 1.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 p -152.66 155.05 36.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 1.0 110.427 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 t -66.99 -58.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 1.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 67' ' ' ASP . 77.1 mtt85 -43.4 -62.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.9 OUTLIER -36.41 -42.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 60.7 t -83.99 50.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -162.48 -42.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -75.09 -65.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -56.44 4.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 73' ' ' ARG . 6.1 pt -40.57 -36.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 2.2 tmt_? -55.45 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 1.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -124.37 75.96 61.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -81.46 174.78 10.22 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.31 3.34 . . . . 1.0 109.605 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.33 48.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.112 . . . . 1.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.73 154.6 54.06 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.316 3.344 . . . . 1.0 109.594 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.35 -34.75 4.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.57 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.76 130.15 24.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.087 0.946 . . . . 1.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.6 Cg_exo -53.98 -146.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.288 3.325 . . . . 1.0 109.626 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.4 161.42 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.24 107.26 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 1.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . -96.56 -168.36 33.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.094 . . . . 1.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.75 11.71 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 1.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.89 -40.93 60.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.7 ttm -113.29 -54.34 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' GLY . 2.6 mt -116.98 117.67 36.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 91' ' ' ASP . 58.0 Cg_endo -73.21 137.17 25.64 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.319 3.346 . . . . 1.0 109.603 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -40.92 -44.13 4.83 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.352 3.368 . . . . 1.0 109.596 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.61 88.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.286 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 88' ' ' PRO . 29.1 m-20 -71.55 -9.78 58.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.75 -32.75 21.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 1.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.46 -18.22 57.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HZ1' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -85.73 -26.63 25.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 9.4 mm -70.34 -49.47 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.426 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -45.27 -28.24 2.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 1.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.6 mt-10 -66.25 -50.17 64.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.149 0.976 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 71.6 t80 -47.62 -28.25 2.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.822 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.531 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 59.0 t -97.25 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 70.8 t -147.2 19.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.59 20.95 6.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 1.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 p -153.73 -45.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -151.84 81.53 5.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.307 3.338 . . . . 1.0 109.588 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.56 ' CBA' ' NH2' ' A' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.98 -70.87 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.77 -27.6 64.4 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.47 -42.62 88.83 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.68 -27.93 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 1.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.94 -40.48 20.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 1.8 t80 -73.03 -22.98 60.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 1.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -94.01 45.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -170.51 -39.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.8 -5.88 23.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 36' ' ' ALA . 3.7 m -130.78 -46.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 1.0 108.269 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -37.83 -34.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.32 46.95 3.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.62 -31.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.0 m-70 -117.43 60.43 2.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 39' ' ' HIS . 62.1 Cg_endo -73.86 126.19 10.51 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.341 3.361 . . . . 1.0 109.605 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 48.7 56.09 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.96 24.42 1.36 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.86 -153.02 20.7 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -162.25 151.8 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 1.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.6 p -116.77 -0.25 12.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 1.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 47' ' ' HIS . 86.6 t -107.89 -56.01 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.552 ' CE1' ' O2D' ' A' ' 201' ' ' HEC . 52.6 m170 -116.59 112.96 40.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -84.29 15.13 2.24 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.352 3.368 . . . . 1.0 109.609 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.82 4.78 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 1.0 110.268 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -129.61 87.75 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.5 p -101.17 -172.07 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 1.0 110.441 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.3 mt -97.32 21.49 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.89 136.62 33.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 2.7 ttm-85 -54.66 -40.88 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.5 -51.98 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -36.49 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 1.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' CG ' ' HB ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -63.12 -15.53 57.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 110.267 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -81.01 -46.41 15.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.0 -54.47 19.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.504 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER -77.75 -32.12 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.486 ' CA ' ' NH1' ' A' ' 63' ' ' ARG . . . 85.76 82.43 1.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.56 1.163 . . . . 1.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.534 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 3.9 mt -140.86 59.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 0.763 . . . . 1.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' HE ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -114.36 58.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 1.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 42.0 p -155.58 146.14 22.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 t -63.82 -52.84 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -45.93 -65.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.5 m-20 -35.99 -35.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' ARG . 97.3 t -90.74 52.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -170.04 -41.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.91 -65.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -44.51 -54.6 5.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.826 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG12 ' CA ' ' A' ' 69' ' ' ALA . 4.5 pt -40.45 -36.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.421 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.1 ttt180 -58.3 -62.71 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.14 73.37 79.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -81.61 175.28 9.63 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.583 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.69 -175.74 47.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 1.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -54.74 154.94 19.04 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.339 3.359 . . . . 1.0 109.569 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.68 -35.01 4.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.561 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.1 ttp -121.75 129.72 25.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 122.053 0.93 . . . . 1.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.561 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.6 Cg_exo -54.09 -146.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 1.0 109.6 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.47 160.28 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.343 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -140.39 101.87 4.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.11 -175.54 50.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 1.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.66 8.38 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.8 -44.36 61.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 tpp -101.88 -55.87 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.35 117.68 34.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.509 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 58.5 Cg_endo -72.21 139.13 31.76 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.297 3.331 . . . . 1.0 109.601 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -40.58 -46.32 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 1.0 109.587 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.63 84.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.509 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 1.2 m-20 -71.74 -7.91 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.63 -34.93 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.42 -14.64 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -87.76 -17.42 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.9 mm -81.62 -37.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.47 -19.81 27.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 1.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.7 mt-10 -74.77 -53.75 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.103 0.954 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.409 ' HE1' ' CD1' ' A' ' 31' ' ' PHE . 69.8 t80 -48.57 -27.95 3.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.877 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 75.9 t -95.06 31.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 78.3 t -142.76 15.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 1.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.95 51.52 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.05 -34.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -162.82 78.83 1.8 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 111.049 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.599 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.606 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.15 -86.4 1.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 1.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.52 -27.2 8.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.7 -41.4 89.3 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.5 -29.06 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 1.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.08 -40.51 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 2.8 t80 -75.16 -17.22 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -98.14 43.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -172.72 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -102.02 -5.23 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ALA . 4.4 m -132.88 -47.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 108.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.78 -33.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.65 47.19 3.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.13 -32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.8 m-70 -117.47 60.95 3.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.641 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 39' ' ' HIS . 65.7 Cg_endo -73.35 119.48 6.01 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.298 3.332 . . . . 1.0 109.6 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 43' ' ' GLY . 27.4 mt-30 53.11 59.71 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 1.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.54 26.43 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 1.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -105.68 -147.52 15.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -170.63 141.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.1 p -108.79 3.63 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 1.0 110.34 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 47' ' ' HIS . 58.2 t -109.43 -58.04 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.469 ' CD2' HG11 ' A' ' 46' ' ' VAL . 53.1 m170 -116.94 119.21 35.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 1.0 109.575 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -87.71 11.98 3.02 Favored 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.326 3.351 . . . . 1.0 109.566 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -130.43 4.74 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.322 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.31 70.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' NH2' ' A' ' 56' ' ' ARG . 34.1 p -86.92 -170.76 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 83.6 mt -96.38 23.04 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.12 131.19 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.1 ttt180 -50.39 -49.43 54.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.22 -36.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' NH2' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -89.35 -50.02 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 1.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.1 -18.97 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.6 pt-20 -78.46 -47.17 18.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.01 -50.86 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.8 m-80 -77.46 -27.7 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.28 72.23 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 1.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' ARG . 5.2 mt -133.92 60.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.1 OUTLIER -114.9 55.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 1.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -155.61 151.69 27.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 110.469 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.66 -58.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' ASP . 75.6 mtt85 -44.31 -62.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.2 m-20 -36.58 -41.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.46 52.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -166.51 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.36 -65.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -44.39 -55.68 4.81 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.438 HG12 ' CA ' ' A' ' 69' ' ' ALA . 5.8 pt -40.57 -36.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -56.92 -64.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 1.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.14 75.32 72.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -82.89 175.65 8.42 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.304 3.336 . . . . 1.0 109.621 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.27 -176.0 47.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 1.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -54.84 156.15 16.06 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.274 3.316 . . . . 1.0 109.587 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.28 -34.44 4.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 1.0 111.02 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -121.82 129.88 24.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.14 0.971 . . . . 1.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' A' ' 79' ' ' MET . 43.9 Cg_exo -53.96 -145.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.299 3.333 . . . . 1.0 109.603 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.89 161.76 41.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 109.307 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -142.08 98.2 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . -88.75 -169.56 44.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.19 8.37 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 1.0 110.287 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.7 -40.39 66.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.61 -54.31 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 83' ' ' GLY . 3.2 mt -119.6 117.24 32.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.507 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 60.1 Cg_endo -73.34 149.23 44.77 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.312 3.341 . . . . 1.0 109.607 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.72 -41.72 60.49 Favored 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 124.307 3.338 . . . . 1.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.39 67.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.337 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 2.1 m-20 -91.79 -7.59 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.89 -31.05 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 1.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.18 -18.12 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -85.42 -17.44 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.6 mm -81.16 -34.15 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.95 -15.97 30.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 1.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' VAL . 7.5 mt-10 -74.31 -52.17 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.067 0.937 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 23.4 t80 -49.24 -27.63 3.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.552 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 53.8 t -95.99 31.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 69.5 t -145.85 18.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.62 39.18 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.1 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.409 ' N ' ' HD3' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -158.69 70.47 3.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 1.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 103' ' ' PHE . 61.1 Cg_exo . . . . . 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.596 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.505 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.14 -67.69 1.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 1.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.96 -28.08 57.59 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.85 -45.58 50.91 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.04 -25.78 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 1.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 16.8 mt -82.82 -42.2 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' PHE . 1.8 t80 -70.62 -21.8 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -93.8 44.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.65 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -102.49 -5.81 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.651 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 4.0 m -131.64 -47.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 108.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.82 -34.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.71 46.84 3.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.471 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.64 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-70 -117.36 60.94 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.593 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' A' ' 39' ' ' HIS . 64.0 Cg_endo -73.56 129.41 13.67 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.313 3.342 . . . . 1.0 109.609 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 46.63 49.33 13.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.41 18.78 7.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 1.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.81 -154.38 27.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -161.02 140.41 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.3 p -106.31 2.75 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.71 -59.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -117.2 116.46 37.51 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -88.13 12.08 2.94 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.331 3.354 . . . . 1.0 109.554 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.55 -2.25 8.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 1.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -128.5 89.89 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.9 p -101.66 -167.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 88.0 mt -96.81 21.09 10.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 1.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.72 132.05 35.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -53.6 -32.96 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.15 -43.75 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.83 -35.92 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 52' ' ' LEU . 3.3 mmm-85 -66.31 -8.22 23.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.3 pt-20 -85.07 -46.94 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.513 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -55.23 -53.44 56.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.6 m-80 -80.06 -34.39 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 57' ' ' ARG . . . 86.19 81.34 1.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 1.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.472 HD11 ' CGA' ' A' ' 201' ' ' HEC . 4.4 mt -139.82 59.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 1.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.65 57.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 32.9 p -155.31 149.53 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.73 -55.45 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' ALA . 26.7 mtt-85 -46.65 -66.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 1.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 6.1 m-20 -37.01 -37.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 90.3 t -86.54 49.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -162.13 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -74.93 -64.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -45.5 -55.95 5.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.843 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.449 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.4 pt -41.14 -35.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -58.2 -64.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -125.6 73.38 68.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.78 174.88 10.57 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.28 3.32 . . . . 1.0 109.594 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.96 -172.04 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 1.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.93 155.27 56.11 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.338 3.358 . . . . 1.0 109.588 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.38 -33.9 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 1.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.579 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -119.93 129.84 25.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 122.079 0.943 . . . . 1.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 79' ' ' MET . 44.5 Cg_exo -53.71 -145.5 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.352 3.368 . . . . 1.0 109.57 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.07 158.89 38.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -142.61 100.7 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.78 -169.45 35.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 1.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -0.03 16.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 1.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.75 98.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.1 ttm -117.3 -55.01 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -117.37 116.98 36.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.51 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 60.3 Cg_endo -73.28 148.69 44.14 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.329 3.353 . . . . 1.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.35 -40.52 61.77 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.328 3.352 . . . . 1.0 109.619 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.97 -23.26 67.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.51 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 2.1 m-20 -92.71 -7.81 45.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.42 -25.99 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.11 -19.86 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -84.17 -22.32 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 1.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 6.1 mm -75.48 -42.78 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -52.55 -25.35 20.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.8 mt-10 -70.5 -52.83 19.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.108 0.956 . . . . 1.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 83.3 t80 -48.35 -27.83 2.8 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 73.7 t -96.69 32.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 76.6 t -139.14 13.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.42 57.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.72 -33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -170.28 75.52 0.62 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 111.027 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 N--CA 1.447 -1.214 0 C-N-CA 124.265 3.31 . . . . 1.0 109.613 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.509 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.27 -83.03 0.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 1.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.64 -26.97 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.12 79.91 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.82 -26.68 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 1.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 47.1 mt -85.22 -44.26 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 2.1 t80 -70.54 -18.99 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -95.33 43.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -171.26 -39.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -102.4 -1.56 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.654 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -136.69 -47.49 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 1.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.33 -35.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.24 46.85 3.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 1.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 169.05 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.1 m-70 -117.03 61.09 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 109.611 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 76.7 Cg_endo -72.7 114.94 4.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 1.0 109.55 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 54.29 59.91 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.325 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.58 26.73 1.81 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 1.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.428 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -105.93 -159.12 22.49 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 3.6 m120 -149.98 143.87 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 p -108.92 -1.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 1.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.53 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 1.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 42.5 m170 -116.16 110.97 42.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.589 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.82 17.02 1.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.359 3.373 . . . . 1.0 109.587 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.68 3.0 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 110.267 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.3 mmtp -130.07 70.39 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.7 p -82.41 -175.38 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -92.95 21.92 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.05 128.8 36.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 10.6 ttt180 -48.91 -53.01 21.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.02 -30.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -93.66 -53.7 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -56.8 -16.06 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 1.0 110.264 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.537 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.0 pt-20 -81.74 -49.05 10.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.3 -46.85 25.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 1.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.7 m-80 -79.33 -24.71 42.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.74 70.07 1.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 13.7 mt -135.03 59.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.76 . . . . 1.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.2 OUTLIER -115.46 58.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 25.5 p -154.47 146.79 23.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.4 -50.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASP . 55.2 mtt85 -48.36 -66.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' ARG . 9.8 m-20 -37.03 -40.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 t -89.0 53.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -172.51 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -80.97 -65.56 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.63 -52.44 6.37 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.805 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.43 HG12 ' CA ' ' A' ' 69' ' ' ALA . 3.7 pt -40.47 -36.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -52.91 -66.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -124.69 78.89 63.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -85.21 175.95 6.13 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.285 3.323 . . . . 1.0 109.601 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.36 -169.71 45.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 1.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.39 154.89 55.63 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.246 3.297 . . . . 1.0 109.634 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.31 -34.69 4.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.103 . . . . 1.0 111.055 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.583 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -121.35 129.57 25.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.052 0.929 . . . . 1.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.583 ' O ' ' O ' ' A' ' 79' ' ' MET . 44.8 Cg_exo -53.41 -146.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.329 3.353 . . . . 1.0 109.619 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.21 162.53 41.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -143.18 107.05 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.71 -169.22 32.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 1.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.28 7.95 12.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 1.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.41 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.9 ttm -115.34 -53.31 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.87 116.95 37.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' ASP . 55.8 Cg_endo -72.83 140.24 31.72 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.338 3.358 . . . . 1.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.413 ' HG3' ' NH2' ' A' ' 73' ' ' ARG . 72.2 Cg_exo -41.44 -45.57 5.99 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.312 3.341 . . . . 1.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.14 80.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 88' ' ' PRO . 11.1 m-20 -70.22 -11.1 60.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.96 -38.05 28.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.04 -12.91 29.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -32.71 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 12.4 mm -69.07 -48.35 69.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.76 -27.2 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.7 mt-10 -65.36 -49.83 67.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.117 0.96 . . . . 1.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 53.5 t80 -48.11 -27.97 2.64 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.816 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 72.8 t -97.24 34.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 1.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 70.3 t -144.07 17.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.83 35.77 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.413 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 41.4 p -170.54 -40.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -159.36 75.07 3.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo . . . . . 0 N--CA 1.447 -1.244 0 C-N-CA 124.31 3.34 . . . . 1.0 109.616 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.505 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.8 -79.83 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 1.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.15 -26.86 13.37 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.09 -45.53 55.9 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -53.76 -21.84 8.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 1.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -89.31 -43.41 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 1.9 t80 -71.01 -20.47 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -94.59 44.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -170.84 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 110.365 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -102.28 -5.45 24.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 1.0 109.621 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ALA . 3.5 m -132.05 -46.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 108.343 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.26 -36.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.46 47.94 3.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 1.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.434 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.37 -31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.2 m-70 -116.99 61.37 2.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 67.9 Cg_endo -72.89 124.81 9.93 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.305 3.337 . . . . 1.0 109.6 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' PRO . 8.9 pt20 46.29 47.94 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.16 26.38 49.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . -101.88 -157.96 26.47 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 6.4 m120 -150.24 143.44 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 p -108.71 -5.54 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 47' ' ' HIS . 98.4 t -111.89 -57.02 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CD2' HG11 ' A' ' 46' ' ' VAL . 41.6 m170 -116.0 108.34 46.49 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 1.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -81.88 16.34 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.292 3.328 . . . . 1.0 109.638 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -128.97 3.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 110.324 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.5 mttt -126.68 74.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 p -85.15 -177.73 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -91.16 17.42 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 130.03 41.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.233 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' NH1' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -49.18 -52.95 23.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.59 -31.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.51 -52.02 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' CD1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -57.2 -15.78 6.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 4.3 pt-20 -83.44 -49.09 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.548 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.5 -41.76 21.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -78.55 -27.22 45.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . 89.18 54.5 2.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.141 . . . . 1.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.463 HG22 ' CD ' ' A' ' 57' ' ' ARG . 12.1 mt -121.65 62.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 1.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -112.24 55.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 1.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 1.8 p -158.97 168.58 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 110.35 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t -81.57 -54.53 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 67' ' ' ASP . 47.6 mtt-85 -42.64 -63.99 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 66' ' ' ARG . 7.4 m-20 -34.9 -42.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 57.2 t -83.99 50.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -164.11 -42.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.27 -65.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -44.82 -55.9 4.98 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.823 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' CA ' ' A' ' 69' ' ' ALA . 5.7 pt -40.28 -36.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 2.6 ttt180 -57.15 -65.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.51 74.32 68.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -81.18 174.98 10.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 1.0 109.628 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.3 -170.83 47.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 1.0 111.013 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.95 155.23 56.46 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.255 3.304 . . . . 1.0 109.619 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.52 -34.26 4.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.075 . . . . 1.0 111.022 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.576 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -120.32 129.91 25.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 122.063 0.935 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.9 Cg_exo -53.82 -145.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.318 3.345 . . . . 1.0 109.649 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.68 159.89 39.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -142.09 103.27 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 1.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.57 -168.92 35.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.17 4.49 14.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.84 85.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 ttm -114.46 -53.97 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.51 117.65 37.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.507 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 58.9 Cg_endo -72.54 138.56 29.8 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.29 3.327 . . . . 1.0 109.584 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -41.3 -44.96 5.74 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.322 3.348 . . . . 1.0 109.544 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.95 87.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 1.5 m-20 -74.1 -5.11 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.98 -33.31 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 1.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.62 -15.63 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -87.24 -18.58 29.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.0 mm -78.94 -47.59 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -47.85 -25.33 3.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -67.2 -49.83 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.094 0.95 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 56.2 t80 -49.71 -28.22 5.77 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.536 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 66.4 t -93.92 29.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.507 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 55.9 t -138.82 13.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.33 44.87 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.19 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.946 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CD1' ' NH1' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -164.06 78.68 1.53 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 110.97 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 N--CA 1.447 -1.263 0 C-N-CA 124.318 3.345 . . . . 1.0 109.602 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.508 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.57 -74.79 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.3 -30.22 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.016 -0.833 . . . . 1.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' CA ' ' CD1' ' A' ' 98' ' ' TYR . . . -72.42 -50.66 15.05 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -49.75 -22.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 30.8 mt -84.38 -42.1 16.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.541 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 1.3 t80 -69.63 -23.01 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -92.73 45.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -170.5 -39.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 1.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -102.72 -7.29 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.604 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.9 m -128.86 -46.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 1.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.94 -33.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.97 47.0 3.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.469 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.96 -31.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.5 m-70 -117.24 60.85 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 63.5 Cg_endo -73.79 131.37 15.73 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.274 3.316 . . . . 1.0 109.631 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 46.07 48.31 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.307 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.92 18.97 6.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.9 -147.83 22.54 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -166.64 153.45 9.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 1.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -117.39 0.26 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG11 ' CD2' ' A' ' 47' ' ' HIS . 67.8 t -107.63 -56.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.556 ' CD2' HG11 ' A' ' 46' ' ' VAL . 55.9 m170 -116.77 115.14 39.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -84.96 14.48 2.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.347 3.365 . . . . 1.0 109.595 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -132.19 5.28 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HD2' ' CGD' ' A' ' 201' ' ' HEC . 18.1 mmtt -129.39 90.32 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 p -102.84 -170.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -97.16 21.44 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.77 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -54.16 -43.75 70.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.9 -41.85 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -47.31 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.62 -18.77 8.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 1.0 110.32 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.9 pt-20 -77.79 -46.8 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.77 -51.74 37.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -78.59 -33.95 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.42 73.75 1.27 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 1.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.459 HD11 ' CGA' ' A' ' 201' ' ' HEC . 9.4 mt -136.2 55.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 1.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.68 56.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.315 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 35.7 p -154.85 153.84 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.378 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -65.78 -59.93 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ASP . 4.9 mmt-85 -43.32 -62.11 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 1.0 110.347 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.2 m-20 -36.13 -38.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 76.3 t -86.64 50.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -163.55 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -74.67 -65.0 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.3 m-85 -46.58 -56.32 6.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.019 -0.992 . . . . 1.0 109.818 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.8 pt -40.48 -36.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 1.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -57.52 -66.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 1.0 110.299 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -124.69 73.94 63.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 1.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.51 175.11 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 1.0 109.623 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.06 -171.48 47.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 1.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.64 153.96 63.43 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.319 3.346 . . . . 1.0 109.63 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.86 -34.45 5.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 1.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.57 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -119.88 130.16 24.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.097 0.951 . . . . 1.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.5 Cg_exo -54.1 -144.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.361 3.374 . . . . 1.0 109.625 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.03 158.46 39.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 1.0 109.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -142.06 104.9 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.5 -168.89 31.4 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.66 2.64 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.51 96.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.2 ttm -115.37 -53.88 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.71 117.36 40.15 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.49 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 61.6 Cg_endo -74.2 148.53 39.34 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.284 3.323 . . . . 1.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.95 -41.25 64.69 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.303 3.336 . . . . 1.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.19 -25.54 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 1.0 109.271 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.49 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 4.3 m-20 -89.93 -11.16 42.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.91 -30.51 24.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.58 -19.95 64.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -24.59 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 9.1 mm -73.06 -43.73 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.425 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -53.63 -28.03 36.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 1.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.4 mt-10 -68.23 -51.73 42.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.037 0.923 . . . . 1.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CD1' ' CA ' ' A' ' 28' ' ' GLY . 67.3 t80 -48.01 -27.36 2.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.811 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 78.5 t -98.09 33.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 71.6 t -147.15 20.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.77 28.22 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -162.89 -43.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -153.57 72.53 6.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 103' ' ' PHE . 52.6 Cg_exo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.338 3.359 . . . . 1.0 109.56 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.533 ' O2A' ' C2A' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.08 -75.77 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.18 -25.45 64.57 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.23 -45.3 71.4 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -52.69 -25.28 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 1.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.2 -40.86 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 1.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 1.8 t80 -74.32 -18.81 60.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 1.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -96.52 44.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -172.0 -39.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 1.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -102.21 -5.31 24.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.582 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 37' ' ' GLY . 4.2 m -132.4 -47.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.51 46.47 3.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 1.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.85 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.3 m-70 -117.22 60.72 2.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 62.5 Cg_endo -73.83 129.05 13.01 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.292 3.328 . . . . 1.0 109.616 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.23 50.43 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 1.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.23 18.76 7.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 1.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.03 -159.92 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -155.36 151.54 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 1.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.3 p -115.06 1.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.0 110.435 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.2 t -109.76 -56.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 1.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.554 ' CE1' ' O1D' ' A' ' 201' ' ' HEC . 47.5 m170 -116.7 116.78 38.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.589 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.54 13.16 2.72 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 1.0 109.613 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -127.84 1.7 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 110.335 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -128.63 91.62 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -104.51 -173.13 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 110.43 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 87.3 mt -94.15 19.58 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.79 135.2 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLU . 13.9 ttm180 -52.54 -38.1 59.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 1.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.35 -53.78 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -27.66 33.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -71.25 -14.92 62.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.0 pt-20 -82.65 -47.07 12.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 1.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.43 -51.14 37.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.514 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.5 m-80 -78.07 -29.62 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.34 70.49 1.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 1.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 18.2 mt -130.9 55.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' O ' ' CG2' ' A' ' 64' ' ' THR . 3.5 mtm180 -108.6 58.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 4.2 p -158.66 160.48 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 1.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -75.92 -52.42 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -42.97 -66.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.5 m-20 -35.47 -44.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.6 t -83.16 51.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -166.56 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.65 -65.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.01 -55.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.834 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 73' ' ' ARG . 5.1 pt -40.69 -36.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 72' ' ' ILE . 5.9 ttt180 -60.59 -62.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -128.26 72.83 79.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -81.56 176.1 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.317 3.345 . . . . 1.0 109.616 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -90.68 -175.12 44.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -54.15 154.44 18.27 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.371 3.381 . . . . 1.0 109.594 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.65 -34.87 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.556 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -121.91 129.84 24.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.102 0.953 . . . . 1.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 79' ' ' MET . 39.7 Cg_exo -54.43 -145.12 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.362 3.374 . . . . 1.0 109.556 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.26 164.28 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.281 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -147.86 103.75 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.98 -169.51 32.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.84 2.13 15.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 1.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.5 98.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.8 ttm -117.57 -54.46 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mt -117.15 117.01 37.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.491 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 58.7 Cg_endo -72.89 149.66 47.92 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.315 3.344 . . . . 1.0 109.631 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.44 -41.58 59.18 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.578 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.13 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.293 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.491 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 1.2 m-20 -86.0 -10.28 55.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.04 -35.21 20.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.14 -16.22 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -87.87 -19.66 27.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.0 mm -79.88 -40.79 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.3 -22.44 14.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 1.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.3 mt-10 -71.24 -53.73 13.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.121 0.962 . . . . 1.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -48.02 -26.88 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.836 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 73.9 t -96.87 32.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 72.3 t -145.66 18.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.51 46.16 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.87 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -161.63 77.71 2.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.344 3.363 . . . . 1.0 109.596 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.568 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.287 -0.635 . . . . 1.0 109.287 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.63 -72.88 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 1.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.51 -28.31 64.8 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.29 -39.78 92.0 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -59.26 -27.92 66.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.97 -45.56 12.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 2.5 t80 -68.0 -29.5 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -89.53 46.34 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.2 m -169.59 -40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 110.417 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -103.26 -6.96 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 3.8 m -128.8 -46.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 108.34 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.12 -34.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.14 46.76 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 1.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.86 -31.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -116.9 61.52 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 1.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 93.5 Cg_endo -70.13 122.91 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.298 3.332 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 40' ' ' PRO . 14.4 pt20 46.36 49.63 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.82 24.82 50.61 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.436 1.085 . . . . 1.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -101.37 -157.86 26.99 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 4.5 m120 -150.59 143.22 24.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.9 p -108.19 -2.78 19.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 1.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.7 t -113.71 -58.14 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -116.03 109.61 44.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.577 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.27 15.88 2.0 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 1.0 109.609 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.65 -0.6 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 10.9 mmtt -126.8 74.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 p -88.26 -177.63 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.64 21.74 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.01 130.77 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' GLU . 4.0 ttp180 -51.13 -50.92 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -39.83 -35.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -52.02 5.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -54.42 -18.38 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -77.96 -40.9 37.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -56.6 -58.43 8.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.627 HD21 ' N ' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -76.42 -28.85 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.55 88.42 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 1.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.41 ' O ' ' CD ' ' A' ' 57' ' ' ARG . 5.2 mt -142.49 36.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.468 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -98.13 64.57 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 38.3 p -155.68 149.16 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 110.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.81 -56.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ASP . 7.8 mtt-85 -45.05 -65.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' ARG . 2.0 m-20 -35.84 -38.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.226 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.6 t -87.76 51.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -164.57 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.18 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -45.7 -56.35 5.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.82 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 HG12 ' CA ' ' A' ' 69' ' ' ALA . 7.1 pt -40.05 -37.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.6 ttt180 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -127.64 75.06 78.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -84.31 175.06 7.57 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 C-N-CA 124.285 3.323 . . . . 1.0 109.605 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.98 -169.17 45.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.25 153.45 65.08 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 1.0 109.582 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.57 -34.88 4.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 1.0 111.049 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.558 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -120.34 131.19 24.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.106 0.955 . . . . 1.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.558 ' O ' ' O ' ' A' ' 79' ' ' MET . 38.9 Cg_exo -54.31 -145.35 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.303 3.335 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -147.98 170.68 17.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 92.6 m-85 -155.16 107.19 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 1.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.19 -168.41 25.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 1.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 4.88 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.88 89.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.3 ttm -115.02 -54.37 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mt -115.67 116.83 40.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.475 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 57.7 Cg_endo -72.51 140.17 32.64 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.285 3.323 . . . . 1.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.4 ' HG3' ' NH2' ' A' ' 73' ' ' ARG . 71.8 Cg_exo -41.35 -46.48 5.72 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.301 3.334 . . . . 1.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.97 81.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 109.336 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 1.3 m-20 -70.65 -10.67 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.03 -38.57 20.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -15.09 29.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 1.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 -27.69 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.1 mm -73.39 -44.37 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 1.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.4 -26.61 5.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.4 mt-10 -66.61 -51.05 60.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.086 0.946 . . . . 1.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 59.9 t80 -49.31 -26.94 3.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.818 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.513 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 72.1 t -93.48 29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 53.0 t -141.94 16.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.07 47.36 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.35 76.45 1.8 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 1.0 109.594 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.582 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.46 -81.81 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -59.09 -25.79 60.26 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -66.9 -41.82 93.18 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -30.77 62.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -80.07 -42.34 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CD2' ' C ' ' A' ' 31' ' ' PHE . 4.5 t80 -70.06 -28.31 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 33' ' ' THR . . . -90.16 46.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.3 m -168.42 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -103.15 -7.73 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' C ' ' N ' ' A' ' 37' ' ' GLY . 3.7 m -126.68 -45.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 108.282 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' CYS . . . -37.49 -33.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.61 46.99 3.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.44 -31.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.406 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.5 m-70 -116.71 61.2 2.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.617 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.427 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 64.7 Cg_endo -73.66 118.29 5.4 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.277 3.318 . . . . 1.0 109.593 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 52.4 57.31 6.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.39 30.35 2.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.5 -154.79 21.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 9.6 m120 -151.26 143.62 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -110.12 -6.68 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.7 t -112.13 -56.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 49.0 m170 -115.57 110.75 44.41 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -82.75 17.22 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.302 3.335 . . . . 1.0 109.6 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.2 pt-20 -129.03 3.37 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 110.31 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.1 mttt -126.71 84.49 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -96.31 179.99 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 1.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -91.91 17.26 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 130.21 35.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 16.8 ttp-105 -48.7 -46.64 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 1.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.89 -46.65 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 1.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 11.2 mmt85 -84.54 -42.71 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' CG ' ' HB ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.85 -17.22 14.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -78.82 -46.88 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.5 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -51.33 -53.02 40.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.6 m-80 -76.1 -30.77 58.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.51 76.13 1.22 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 1.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.427 ' HB ' ' CG ' ' A' ' 57' ' ' ARG . 5.0 mt -138.43 55.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.763 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -110.96 55.59 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 110.241 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -154.82 144.0 21.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.32 -55.4 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.6 mtt-85 -43.5 -61.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' ARG . 15.9 m-20 -36.52 -38.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.0 t -87.67 50.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -163.95 -42.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.59 -64.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -55.92 6.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.818 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.0 pt -39.9 -36.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.5 ttt180 -66.99 -58.99 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -129.38 73.17 81.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -84.08 174.79 8.01 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.318 3.345 . . . . 1.0 109.623 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.87 -170.03 45.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.46 152.8 65.19 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.36 . . . . 1.0 109.515 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.53 -34.97 4.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.551 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.78 131.17 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.047 0.927 . . . . 1.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.551 ' O ' ' O ' ' A' ' 79' ' ' MET . 37.6 Cg_exo -54.47 -145.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -147.48 169.4 19.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 1.0 109.3 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 81.2 m-85 -154.78 107.56 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.0 -168.92 27.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.59 2.93 15.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 1.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.54 96.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.2 ttm -116.05 -54.43 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.3 116.14 37.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.498 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 60.4 Cg_endo -73.71 148.72 42.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.331 3.354 . . . . 1.0 109.639 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.74 -40.9 64.48 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.344 3.363 . . . . 1.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.87 70.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 4.7 m-20 -84.99 -12.24 53.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.47 -38.85 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.16 -15.75 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -86.81 -28.62 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 1.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.8 mm -72.64 -44.88 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.61 -24.72 4.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 1.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.5 mt-10 -69.6 -53.59 18.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.159 0.98 . . . . 1.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -48.12 -27.52 2.39 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.841 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 74.1 t -95.29 32.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.503 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 52.9 t -141.01 15.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.4 44.73 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.74 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -162.91 77.89 1.83 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo . . . . . 0 N--CA 1.447 -1.232 0 C-N-CA 124.308 3.339 . . . . 1.0 109.556 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.652 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.5 -73.35 0.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.16 -25.74 62.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.843 . . . . 1.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.13 -45.68 61.12 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.58 -26.9 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 1.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.58 -41.71 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 1.6 t80 -73.79 -16.78 61.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -97.13 43.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.1 m -172.93 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 1.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -102.54 -4.26 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.577 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' GLY . 4.7 m -134.03 -47.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 1.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.83 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.78 46.38 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.458 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.81 -31.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.0 m-70 -117.13 60.15 2.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 1.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 59.2 Cg_endo -74.46 129.52 12.93 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.263 3.309 . . . . 1.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 46.65 48.42 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 1.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.65 17.94 9.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.98 -160.68 29.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -154.77 144.74 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 1.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 p -107.47 0.2 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.406 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.6 t -109.95 -56.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -116.62 112.24 41.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.639 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -85.11 15.06 2.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.293 3.329 . . . . 1.0 109.605 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.0 pt-20 -129.73 3.31 4.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 110.268 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.16 90.25 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -101.42 -174.22 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.98 15.57 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.71 131.32 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.5 ttt180 -50.38 -52.98 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -40.41 -34.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 11.3 mmt85 -95.42 -49.0 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' ILE . 5.0 mtm180 -57.85 -15.31 8.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 1.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.4 pt-20 -82.25 -48.88 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.547 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.92 -45.08 30.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -79.22 -30.3 43.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.42 71.41 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 1.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' ARG . 6.8 mt -138.71 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.772 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.7 56.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 40.4 p -156.2 144.7 20.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 1.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.65 -52.23 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ASP . 5.9 mtt85 -45.59 -63.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 1.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.9 m-20 -35.74 -39.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.4 t -86.0 50.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -166.3 -42.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.64 -65.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -45.4 -55.51 5.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.804 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.0 pt -40.3 -36.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 1.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -63.03 -59.97 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 1.0 110.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -129.52 72.4 81.96 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -81.97 174.9 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 1.0 109.652 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.88 -170.45 47.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.546 1.154 . . . . 1.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.17 154.28 58.8 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.347 3.365 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.41 -34.38 5.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.56 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.39 129.96 25.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.069 0.938 . . . . 1.0 111.047 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 79' ' ' MET . 40.7 Cg_exo -54.16 -145.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.275 3.317 . . . . 1.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -151.17 164.34 36.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 71.3 m-85 -148.71 103.43 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.71 -168.63 28.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.098 . . . . 1.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.03 0.29 16.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 1.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.85 97.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 1.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.9 ttm -118.95 -54.99 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.82 117.58 37.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.499 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 58.3 Cg_endo -72.4 140.67 33.84 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.359 . . . . 1.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -41.3 -46.75 5.61 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.321 3.347 . . . . 1.0 109.605 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.77 81.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.324 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.499 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 2.4 m-20 -71.05 -9.06 57.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.92 -35.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.4 mt -61.03 -17.74 53.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -86.0 -19.43 30.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.8 mm -81.1 -37.74 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 1.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.61 -20.84 32.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 100' ' ' VAL . 7.1 mt-10 -74.59 -52.74 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.101 0.953 . . . . 1.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' HE1' ' CD2' ' A' ' 31' ' ' PHE . 67.8 t80 -48.82 -27.42 2.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 75.0 t -95.84 30.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 82.2 t -147.48 19.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.21 22.91 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.437 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 9.6 p -153.13 -45.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -152.21 84.39 4.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 111.023 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 N--CA 1.446 -1.278 0 C-N-CA 124.304 3.336 . . . . 1.0 109.643 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.626 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.79 -74.48 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 1.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.63 -26.31 64.58 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.48 -40.39 91.15 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.91 -28.58 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 1.0 110.261 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.6 mt -82.55 -43.2 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 1.6 t80 -70.87 -25.47 62.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 1.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -92.08 45.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.3 m -168.85 -40.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 1.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -102.74 -7.67 21.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 1.0 109.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ALA . 3.4 m -128.17 -46.49 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -37.78 -33.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.59 46.14 3.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.434 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 169.44 -31.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.8 m-70 -116.85 61.42 2.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 69.0 Cg_endo -72.88 108.88 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.36 3.373 . . . . 1.0 109.587 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 59.75 63.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.03 28.18 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -105.84 -158.04 22.37 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 4.6 m120 -151.82 143.59 23.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -109.45 -4.24 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 110.438 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.519 HG11 ' CD2' ' A' ' 47' ' ' HIS . 91.7 t -112.08 -56.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.519 ' CD2' HG11 ' A' ' 46' ' ' VAL . 49.3 m170 -116.1 107.84 47.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 1.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -82.42 19.53 1.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.323 3.349 . . . . 1.0 109.564 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 50' ' ' LYS . 4.7 pt-20 -132.0 4.88 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 110.26 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 19.8 mmtt -130.19 71.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.7 p -83.59 -176.57 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.51 19.66 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.2 130.04 35.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 11.8 ttp180 -49.32 -47.06 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.38 -44.09 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -46.5 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' NH1' ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -55.12 -18.82 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -78.17 -46.66 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.36 -54.45 21.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.52 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.5 m-80 -77.41 -30.85 53.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.35 82.03 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 1.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 57' ' ' ARG . 5.2 mt -142.08 57.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' O ' ' CG2' ' A' ' 64' ' ' THR . 7.2 mtm180 -115.25 58.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 33.6 p -154.67 150.44 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 1.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.1 t -66.76 -51.73 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' ASP . 53.0 mtt85 -46.72 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 1.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' ARG . 27.5 m-20 -36.31 -41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -86.05 51.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -168.55 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . -78.27 -64.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -41.97 -55.4 3.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.828 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.45 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 5.0 pt -39.87 -36.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' ALA . 2.3 ttt180 -59.71 -61.28 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 1.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -129.96 73.44 81.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -82.52 174.98 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.348 3.366 . . . . 1.0 109.597 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.33 -170.2 46.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 1.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -61.12 154.49 57.04 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.309 3.339 . . . . 1.0 109.613 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.27 -34.5 4.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 1.0 110.996 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.74 130.45 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 122.095 0.95 . . . . 1.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.559 ' O ' ' O ' ' A' ' 79' ' ' MET . 40.3 Cg_exo -54.21 -146.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.322 3.348 . . . . 1.0 109.571 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.35 161.68 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -145.59 108.67 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.08 -169.58 32.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.566 1.166 . . . . 1.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.64 3.93 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 1.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.46 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 1.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 33.4 ttm -114.9 -54.64 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.13 116.29 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.81 148.57 41.3 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.306 3.337 . . . . 1.0 109.569 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 -40.05 65.59 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.253 3.302 . . . . 1.0 109.589 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.21 -28.5 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.88 -12.98 49.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.7 -40.02 21.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 1.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.6 mt -58.61 -17.63 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -25.23 26.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 mm -73.89 -38.74 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 1.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.18 -23.71 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.0 mt-10 -68.67 -51.72 38.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.079 0.942 . . . . 1.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 31' ' ' PHE . 66.3 t80 -49.27 -28.16 4.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.515 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 76.1 t -95.5 30.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 1.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 86.7 t -148.05 20.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.88 -6.9 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 97.0 p -130.03 -43.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -147.29 80.34 9.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo . . . . . 0 N--CA 1.447 -1.253 0 C-N-CA 124.355 3.37 . . . . 1.0 109.612 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.563 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.34 -91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 1.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -48.86 -29.42 8.15 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -68.76 -42.84 77.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.28 -25.17 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.474 ' CD1' ' HD2' ' A' ' 94' ' ' LYS . 25.4 mt -88.04 -46.09 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 1.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 3.3 t80 -69.92 -17.72 63.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -96.2 43.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.1 m -173.78 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -103.28 4.06 36.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -144.13 -47.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 108.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.59 46.95 3.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 169.4 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.0 m-70 -116.82 61.33 2.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 66.8 Cg_endo -73.19 114.09 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.367 3.378 . . . . 1.0 109.575 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? 56.11 59.02 3.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 1.0 110.326 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.41 29.56 1.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 1.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.89 -151.31 20.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 6.9 m120 -156.04 143.75 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -110.13 -7.62 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.513 HG11 ' CD2' ' A' ' 47' ' ' HIS . 88.5 t -110.9 -56.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.513 ' CD2' HG11 ' A' ' 46' ' ' VAL . 47.4 m170 -116.26 110.3 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.606 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -85.2 17.1 1.83 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.318 3.346 . . . . 1.0 109.582 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 1.4 mm-40 -126.46 3.3 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.0 mmtm -130.6 78.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 p -86.62 -175.38 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 110.428 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 87.7 mt -93.28 19.34 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 130.7 40.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -49.76 -51.65 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.28 -35.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 16.8 mmt85 -90.48 -46.96 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 103' ' ' PHE . 2.1 mtm-85 -59.61 -15.26 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 1.0 110.235 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -83.99 -48.43 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.53 -45.25 26.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 1.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.442 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.8 m-80 -78.81 -25.29 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.418 ' CA ' ' NH1' ' A' ' 63' ' ' ARG . . . 84.32 68.41 1.4 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 1.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.473 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 8.6 mt -135.35 63.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -116.28 55.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 39.7 p -156.18 150.86 25.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.453 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.28 -57.85 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' ASP . 3.2 mtt-85 -43.98 -61.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.3 m-20 -36.24 -43.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 28.7 t -84.55 52.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.59 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.63 -64.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.3 m-85 -44.53 -55.76 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.435 HG12 ' CA ' ' A' ' 69' ' ' ALA . 5.4 pt -39.82 -36.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 3.0 tmt_? -57.91 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.58 73.96 74.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -81.74 175.23 9.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.298 3.332 . . . . 1.0 109.549 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.1 -171.1 47.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.06 155.56 55.01 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.295 3.33 . . . . 1.0 109.575 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.14 -34.2 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 1.0 111.008 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.576 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -120.12 130.18 24.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.125 0.964 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 79' ' ' MET . 43.2 Cg_exo -53.8 -145.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.359 3.373 . . . . 1.0 109.609 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.47 158.86 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -140.3 101.6 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.59 -170.4 37.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 1.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.77 3.02 15.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.52 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.7 ttm -116.63 -54.88 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mt -116.62 118.1 37.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.502 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 59.5 Cg_endo -73.13 138.22 27.6 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.329 3.352 . . . . 1.0 109.54 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -41.2 -44.62 5.46 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.304 3.336 . . . . 1.0 109.627 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.58 87.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.33 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 7.4 m-20 -72.26 -9.09 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.99 -25.55 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.41 -20.32 66.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD2' ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -85.63 -23.57 27.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 8.7 mm -72.45 -53.64 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.447 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -43.79 -28.12 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.6 mt-10 -65.59 -49.26 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.136 0.969 . . . . 1.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.549 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 78.3 t80 -48.26 -26.71 2.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.812 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.519 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 74.1 t -97.76 33.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 73.2 t -145.85 20.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.75 25.3 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 79.1 p -157.48 -45.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.6 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -150.9 84.21 5.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 111.025 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.33 3.353 . . . . 1.0 109.612 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.516 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.14 -91.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 1.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -51.32 -32.65 30.15 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.37 87.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.52 -23.47 67.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.786 . . . . 1.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.8 mt -91.51 -42.26 10.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.9 t80 -71.2 -14.92 62.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -96.93 42.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.1 m -174.3 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.462 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -103.01 3.16 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.632 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.9 m -143.17 -47.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 1.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -39.41 -35.9 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.57 47.91 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.47 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 167.78 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.7 m-70 -117.49 60.75 3.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 1.0 109.577 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 39' ' ' HIS . 63.4 Cg_endo -73.78 129.66 13.75 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.304 3.336 . . . . 1.0 109.572 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 44.51 60.69 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 110.303 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.58 27.26 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 1.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -109.75 -151.91 13.87 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 1.4 m-20 -162.81 141.06 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.4 p -108.04 4.68 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.62 -58.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -116.76 118.68 36.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 1.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.57 12.23 2.97 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.346 3.364 . . . . 1.0 109.62 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mm-40 -127.31 2.05 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.26 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.3 mmpt? -129.96 90.92 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -101.72 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 1.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.9 mt -96.43 20.64 10.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.77 130.16 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -58.36 -30.62 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 1.0 110.281 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.06 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 1.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 8.1 mmt85 -73.74 -23.9 59.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 1.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -71.6 -4.07 25.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 1.0 110.306 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.7 pt-20 -85.97 -48.74 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -57.2 -52.33 65.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.5 m-80 -75.25 -33.82 61.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.453 ' C ' ' NH1' ' A' ' 63' ' ' ARG . . . 85.58 80.04 1.14 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.567 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 3.8 mt -140.51 62.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' HE ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -116.75 54.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 35.3 p -156.76 153.12 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.79 -54.36 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ASP . 40.4 mtt85 -45.67 -64.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' ARG . 14.3 m-20 -34.8 -39.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 43.6 t -88.58 53.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -169.26 -40.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.53 -65.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -45.08 -54.41 6.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.856 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG12 ' CA ' ' A' ' 69' ' ' ALA . 4.2 pt -40.75 -36.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.272 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -127.55 76.32 76.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -84.77 175.36 6.9 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.298 3.332 . . . . 1.0 109.622 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.04 -174.06 46.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 1.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -56.36 154.94 27.1 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.283 3.322 . . . . 1.0 109.598 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.5 -34.81 4.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.562 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.5 ttp -122.68 129.78 24.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.061 0.934 . . . . 1.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.562 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.2 Cg_exo -54.08 -148.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.327 3.351 . . . . 1.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.17 164.96 36.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -144.66 102.26 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -84.64 -173.09 49.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 1.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.44 11.82 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 1.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.61 -44.84 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -55.26 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mt -114.86 117.97 41.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 91' ' ' ASP . 57.6 Cg_endo -72.45 138.88 30.64 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.343 3.362 . . . . 1.0 109.563 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -40.36 -46.53 4.33 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.296 3.331 . . . . 1.0 109.623 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.07 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 88' ' ' PRO . 2.7 m-20 -70.3 -9.91 57.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.07 -38.46 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 1.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 72.7 mt -61.45 -14.69 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.35 -25.43 23.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.2 mm -72.26 -53.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -42.0 -27.42 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' VAL . 17.0 mt-10 -66.18 -50.92 62.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.089 0.947 . . . . 1.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' CE2' ' CG ' ' A' ' 31' ' ' PHE . 63.0 t80 -48.84 -26.97 2.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.829 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 77.1 t -96.67 32.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.464 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 87.4 t -147.39 19.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.69 -21.51 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 p -118.18 -48.58 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 1.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.29 85.49 32.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo . . . . . 0 N--CA 1.447 -1.244 0 C-N-CA 124.352 3.368 . . . . 1.0 109.593 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.528 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.37 -63.04 3.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 1.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -28.71 65.73 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.2 62.79 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.016 -0.833 . . . . 1.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.45 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 95' ' ' ILE . 37.6 mt -84.0 -45.21 13.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 1.8 t80 -72.01 -17.2 62.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -96.55 43.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.1 m -172.35 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.14 -4.29 26.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.582 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ALA . 4.2 m -134.0 -47.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -39.21 -33.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.81 47.08 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.475 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.37 -31.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.42 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.3 m-70 -117.27 60.61 2.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 1.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 39' ' ' HIS . 62.9 Cg_endo -73.8 126.73 10.95 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.68 51.65 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.01 19.74 5.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.96 -158.96 26.44 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -156.32 150.03 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 1.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.1 p -115.12 1.72 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.407 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 47' ' ' HIS . 65.3 t -109.63 -58.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.478 ' CD2' HG11 ' A' ' 46' ' ' VAL . 47.9 m170 -117.06 117.55 36.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -87.59 11.3 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.348 3.365 . . . . 1.0 109.533 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -123.49 -2.8 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 110.273 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.2 mmpm? -125.77 86.87 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -101.94 -172.1 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD22 ' NH2' ' A' ' 57' ' ' ARG . 84.5 mt -95.21 19.73 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.73 131.53 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.4 ttt180 -52.18 -50.85 61.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.75 -38.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -49.26 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' CD ' HG22 ' A' ' 62' ' ' ILE . 3.9 mtm-85 -55.93 -16.91 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.2 pt-20 -80.63 -48.46 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -48.01 -46.87 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.27 -29.1 53.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 1.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.9 71.3 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.564 ' CD1' ' CGA' ' A' ' 201' ' ' HEC . 5.4 mt -132.5 59.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.18 58.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 2.0 p -160.33 165.12 31.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 1.0 110.358 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.96 -52.65 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ASP . 33.8 mtt-85 -43.39 -66.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' ARG . 47.5 m-20 -35.29 -45.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.2 t -83.16 51.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -165.87 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.87 -65.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -42.96 -55.25 3.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.824 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 5.0 pt -40.06 -36.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -58.73 -60.87 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.15 73.49 81.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 1.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -81.76 175.24 9.57 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.296 3.331 . . . . 1.0 109.625 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.13 -171.21 48.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.3 154.54 57.57 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.316 3.344 . . . . 1.0 109.596 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.38 -34.66 4.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 1.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.75 129.96 25.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.118 0.961 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.7 Cg_exo -53.81 -146.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.29 3.327 . . . . 1.0 109.617 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.75 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 1.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -143.15 106.57 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 1.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.54 -170.07 32.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 1.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.51 3.28 16.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 1.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.73 95.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.3 ttm -117.34 -53.34 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.1 mt -116.11 118.05 38.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' CG ' ' CG ' ' A' ' 91' ' ' ASP . 58.6 Cg_endo -72.92 139.24 29.87 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.295 3.33 . . . . 1.0 109.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.418 ' HG3' ' NH2' ' A' ' 73' ' ' ARG . 73.3 Cg_exo -41.05 -46.09 5.15 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.284 3.323 . . . . 1.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.55 83.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.477 ' CG ' ' CG ' ' A' ' 88' ' ' PRO . 1.3 m-20 -69.61 -10.8 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.68 -36.79 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 1.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.38 -13.76 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.33 -30.99 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 30' ' ' LEU . 15.6 mm -68.46 -51.13 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -42.83 -27.79 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 1.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.4 mt-10 -65.79 -50.01 66.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.153 0.978 . . . . 1.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.461 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 59.9 t80 -49.56 -28.32 5.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.014 -0.994 . . . . 1.0 109.854 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.532 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 69.6 t -94.05 29.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 69.7 t -137.22 12.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 1.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.26 48.89 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.86 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -166.71 77.73 1.07 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.276 3.317 . . . . 1.0 109.599 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.564 ' CGA' ' CD1' ' A' ' 62' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.71 -61.83 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -60.16 -32.53 76.54 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.54 -37.48 92.63 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.61 -23.44 64.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 1.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.8 mt -90.1 -42.09 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE1' ' A' ' 98' ' ' TYR . 2.3 t80 -72.04 -16.95 62.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 1.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -95.89 43.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.1 m -173.74 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 1.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -102.89 2.25 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.537 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -141.92 -47.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.322 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -39.16 -36.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 109.274 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.91 47.81 3.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.527 1.142 . . . . 1.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.08 -32.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.2 m-70 -117.63 60.61 3.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 39' ' ' HIS . 63.7 Cg_endo -73.82 129.92 14.0 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.29 3.327 . . . . 1.0 109.546 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 45.66 51.33 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.32 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.58 19.97 5.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 1.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.67 -157.03 26.62 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -159.26 146.28 17.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -111.09 0.79 17.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.379 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -107.37 -56.82 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -116.67 117.15 38.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -86.81 13.48 2.7 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 1.0 109.624 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -131.32 4.42 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.262 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -129.95 91.39 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -102.61 -165.16 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.6 mt -101.05 23.96 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.15 132.86 34.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' GLU . 9.2 ttm-85 -52.52 -44.36 65.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.89 -42.2 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -47.91 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.52 -19.11 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -77.24 -40.87 43.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 1.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -56.56 -54.37 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.52 -33.17 62.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.2 74.5 1.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ARG . 3.2 mt -142.27 56.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -113.09 55.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 1.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 65.4 p -155.44 150.61 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.77 -58.48 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -44.54 -63.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -37.25 -42.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.7 t -83.26 50.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -163.84 -42.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.44 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.1 m-85 -43.13 -55.27 3.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 69' ' ' ALA . 4.7 pt -40.41 -36.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 2.2 ttt180 -58.07 -61.63 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -127.44 76.55 76.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -85.04 175.94 6.27 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.333 3.355 . . . . 1.0 109.58 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.9 -174.41 45.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 1.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.54 155.78 20.1 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.49 -34.65 4.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 1.0 111.017 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.569 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -122.76 130.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.076 0.941 . . . . 1.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' A' ' 79' ' ' MET . 43.7 Cg_exo -53.89 -146.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 1.0 109.619 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.4 166.55 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -147.68 106.46 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.66 -171.0 31.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 1.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.64 2.17 17.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.4 ttm -118.81 -52.7 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.38 117.49 40.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 91' ' ' ASP . 57.1 Cg_endo -73.14 139.13 29.09 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.344 3.363 . . . . 1.0 109.632 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -41.05 -45.41 5.19 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.259 3.306 . . . . 1.0 109.642 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.69 81.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' PRO . 16.6 m-20 -70.14 -10.61 59.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.54 -38.89 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.56 -15.36 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.95 -22.78 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.7 mm -74.66 -40.33 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.66 -21.8 7.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 1.0 111.061 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' VAL . 8.2 mt-10 -73.54 -55.15 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.099 0.952 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.703 ' CE1' ' CG ' ' A' ' 31' ' ' PHE . 87.1 t80 -43.85 -28.8 0.47 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.512 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 77.3 t -97.19 39.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 74.5 t -150.21 21.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.42 29.07 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 p -161.61 -43.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.993 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -156.09 74.27 4.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 1.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.346 3.364 . . . . 1.0 109.592 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.518 ' C4C' ' HG3' ' A' ' 79' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.76 -61.94 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 1.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -48.21 -34.78 13.2 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -45.55 48.8 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.81 -25.22 26.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 1.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 35.7 mt -83.9 -45.42 13.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.431 ' CD2' ' C ' ' A' ' 31' ' ' PHE . 4.8 t80 -67.67 -19.97 65.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . . . -94.21 43.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 32' ' ' ALA . 1.1 m -173.27 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 1.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -105.01 5.26 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' C ' ' N ' ' A' ' 37' ' ' GLY . 4.3 m -144.0 -48.08 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 108.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 32' ' ' ALA . . . -38.92 -32.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.94 45.65 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 1.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 169.83 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.409 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.9 m-70 -116.95 61.03 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 109.645 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' CD ' ' C ' ' A' ' 38' ' ' CYS . 64.4 Cg_endo -73.64 130.74 15.13 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.303 3.336 . . . . 1.0 109.565 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 44.17 57.45 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.8 24.4 1.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 1.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.75 -157.56 21.3 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 1.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -156.15 141.01 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.3 p -103.72 0.09 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 47' ' ' HIS . 96.6 t -109.99 -56.53 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.455 ' CD2' HG11 ' A' ' 46' ' ' VAL . 48.5 m170 -116.48 115.59 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -85.87 15.58 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.319 3.346 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.03 6.34 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 1.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -129.59 77.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.466 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 54.8 p -91.26 -167.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 1.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD2' ' O1A' ' A' ' 201' ' ' HEC . 71.4 mt -108.09 28.86 7.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.91 131.04 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -49.85 -50.49 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.95 -33.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -43.45 8.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' CZ ' ' CBA' ' A' ' 201' ' ' HEC . 8.2 mmp_? -65.77 -7.77 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 5.3 pt-20 -86.18 -48.53 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -52.0 -48.61 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.414 HD21 ' N ' ' A' ' 60' ' ' ASN . 1.7 m-80 -80.46 -40.42 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' CA ' ' NH1' ' A' ' 63' ' ' ARG . . . 95.19 78.61 1.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' ARG . 4.3 mt -142.47 56.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.743 . . . . 1.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' NH1' ' CA ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -117.55 58.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 1.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.7 p -151.58 144.47 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.1 t -59.27 -53.15 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' ASP . 28.2 mmt-85 -45.7 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ARG . 52.9 m-20 -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 27.9 t -84.42 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 1.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -167.01 -41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.84 -65.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 1.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -45.31 -55.13 6.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.839 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 69' ' ' ALA . 5.6 pt -39.98 -36.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -64.23 -58.15 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.48 73.81 81.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -84.14 176.47 6.65 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.28 3.32 . . . . 1.0 109.588 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.44 -175.42 43.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 1.0 110.98 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.94 154.87 16.06 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.348 3.365 . . . . 1.0 109.551 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.24 -34.68 4.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 111.02 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -120.89 131.03 24.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.091 0.948 . . . . 1.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.553 ' O ' ' O ' ' A' ' 79' ' ' MET . 38.5 Cg_exo -54.68 -144.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.327 3.352 . . . . 1.0 109.589 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.43 167.76 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.346 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -152.05 105.22 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 1.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.79 -169.37 28.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 1.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.88 3.17 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 1.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.17 98.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.0 ttm -115.89 -54.17 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 mt -114.83 117.5 41.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ASP . 57.3 Cg_endo -72.25 140.34 33.76 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.333 3.356 . . . . 1.0 109.616 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -40.91 -46.36 4.96 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.342 3.361 . . . . 1.0 109.605 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.76 83.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.332 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' PRO . 3.5 m-20 -69.25 -11.52 60.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 1.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.56 -38.98 22.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.44 -14.48 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.36 -31.31 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 7.0 mm -70.63 -50.77 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -45.34 -26.88 1.64 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 17.6 mt-10 -68.25 -49.28 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.09 0.948 . . . . 1.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -50.77 -28.49 9.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.036 -0.983 . . . . 1.0 109.832 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 68.9 t -91.42 24.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' GLU . 74.3 t -136.73 9.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.58 -23.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.593 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 6.2 p -105.84 -12.65 15.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.593 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER 174.34 86.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 1.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo . . . . . 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.561 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.631 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 51.7 -90.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 1.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -56.01 -30.15 56.79 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.46 -35.93 91.95 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.71 -27.55 69.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 1.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 95' ' ' ILE . 34.3 mt -88.01 -44.86 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' C ' ' CD2' ' A' ' 31' ' ' PHE . 2.9 t80 -67.51 -25.04 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.0 45.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -171.48 -39.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -104.77 3.1 30.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 109.575 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -140.82 -47.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.925 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.26 -36.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.02 47.98 3.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.28 -31.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.8 m-70 -116.95 61.22 2.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 65.0 Cg_endo -73.47 114.96 4.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.289 3.326 . . . . 1.0 109.63 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 54.68 58.41 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 110.274 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.49 30.06 1.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 1.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.82 -148.93 18.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.5 m120 -158.03 142.62 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 p -110.72 -2.8 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 98.0 t -114.08 -57.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.456 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 2.3 m-70 -115.9 115.91 40.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.6 14.46 2.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.302 3.335 . . . . 1.0 109.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -122.73 -3.11 8.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 14.1 mmtt -124.94 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -99.08 -179.01 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD22 HMA3 ' A' ' 201' ' ' HEC . 88.9 mt -89.58 16.37 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 1.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.43 129.08 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLU . 15.0 ttp180 -52.38 -44.32 65.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.2 -38.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 -48.79 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.52 -18.16 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 1.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -78.16 -47.06 18.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.78 -53.23 26.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -78.62 -32.48 47.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.531 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 88.15 80.71 1.26 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 1.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.508 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 5.8 mt -142.94 61.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.531 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -120.19 57.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.438 ' HG1' ' CG ' ' A' ' 67' ' ' ASP . 20.0 p -151.31 158.87 44.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 37.9 t -69.61 -59.17 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ASP . 41.7 mtt-85 -44.29 -64.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' ARG . 2.0 m-20 -35.83 -37.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 68' ' ' VAL . 75.0 t -89.02 52.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -164.9 -41.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 1.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -75.07 -65.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -44.23 -55.43 4.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.839 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 73' ' ' ARG . 5.9 pt -42.2 -35.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -58.81 -64.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -126.77 74.7 75.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 64.1 Cg_endo -82.23 174.8 9.66 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.339 3.36 . . . . 1.0 109.535 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.91 -171.34 47.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 1.0 110.997 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.59 154.83 51.65 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.303 3.335 . . . . 1.0 109.61 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.99 -34.53 4.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 1.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.565 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.84 129.76 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.006 0.908 . . . . 1.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.7 Cg_exo -53.9 -147.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.301 3.334 . . . . 1.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.48 165.07 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -145.84 103.81 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.53 -173.77 49.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 1.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -85.85 12.51 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 1.0 110.376 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.05 -42.9 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 tpp -101.68 -55.3 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 mt -119.25 116.64 33.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.663 ' HG2' ' OD2' ' A' ' 91' ' ' ASP . 57.9 Cg_endo -73.73 149.17 42.69 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.54 -41.43 60.61 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.296 3.331 . . . . 1.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.29 70.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.663 ' OD2' ' HG2' ' A' ' 88' ' ' PRO . 1.2 m-20 -85.57 -11.11 54.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.52 -38.4 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.48 -15.37 26.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.11 -29.6 23.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 30' ' ' LEU . 7.4 mm -72.63 -45.9 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -47.7 -25.73 3.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 1.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.1 mt-10 -67.55 -50.99 55.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.108 0.956 . . . . 1.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 59.1 t80 -47.49 -27.58 1.82 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.981 -1.008 . . . . 1.0 109.846 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.776 ' O ' HG12 ' A' ' 99' ' ' VAL . 69.8 t -97.75 35.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.701 ' O ' HG12 ' A' ' 100' ' ' VAL . 74.3 t -148.14 20.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 27.98 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 35.6 p -161.16 -43.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 1.0 110.053 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -155.28 77.8 4.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 111.035 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.448 -1.187 0 C-N-CA 124.34 3.36 . . . . 1.0 109.566 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.7 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.34 -88.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.65 -27.62 58.99 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -73.21 -44.42 35.2 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.18 -25.05 45.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 95' ' ' ILE . 36.7 mt -85.43 -45.63 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 2.7 t80 -70.42 -23.73 62.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -93.14 45.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -171.31 -39.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 1.0 110.384 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -102.49 -5.7 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -131.82 -47.15 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.95 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.78 -34.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.21 46.87 3.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 1.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.7 -31.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.4 m-70 -116.94 61.09 2.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 65.9 Cg_endo -73.28 109.07 2.76 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.28 3.32 . . . . 1.0 109.616 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' C ' ' N ' ' A' ' 43' ' ' GLY . 7.6 mm100 59.61 62.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 41.22 28.48 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -104.3 -155.75 23.56 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 7.1 m120 -153.82 143.14 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 1.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 38' ' ' CYS . 1.3 p -110.21 -4.27 15.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 47' ' ' HIS . 87.8 t -113.56 -57.52 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.591 ' CD2' HG12 ' A' ' 46' ' ' VAL . 46.8 m170 -116.3 112.19 41.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 1.0 109.622 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.86 16.29 2.01 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.373 3.382 . . . . 1.0 109.626 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.2 mm-40 -121.71 -4.09 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -124.02 83.98 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 p -94.89 177.31 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.582 HD12 ' HA2' ' A' ' 42' ' ' GLY . 94.0 mt -89.9 15.69 9.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 1.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.84 129.17 35.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -50.54 -47.57 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.37 -40.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 16.1 mmt85 -88.19 -45.99 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CG ' ' HB ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.23 -17.86 13.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -78.33 -46.96 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.51 -53.71 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -78.32 -33.1 49.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.521 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 88.09 81.41 1.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 4.0 mt -142.13 57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.521 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -117.46 59.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 63' ' ' ARG . 25.5 p -153.69 151.33 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.47 -51.17 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -47.26 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 66' ' ' ARG . 29.7 m-20 -36.74 -40.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 68' ' ' VAL . 59.1 t -87.08 51.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.442 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.62 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.75 -65.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -44.84 -55.93 4.96 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.855 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.513 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.1 pt -40.57 -36.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.2 tmt_? -61.25 -64.78 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.68 76.4 74.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.52 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 70.9 Cg_endo -84.76 175.15 7.06 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.283 3.322 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.52 -175.01 43.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.38 153.57 17.13 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.336 3.358 . . . . 1.0 109.603 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.34 -35.02 4.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.555 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -122.14 131.32 24.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 122.041 0.924 . . . . 1.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.555 ' O ' ' O ' ' A' ' 79' ' ' MET . 39.2 Cg_exo -54.48 -145.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.335 3.357 . . . . 1.0 109.561 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.66 169.47 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.85 104.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.49 -168.76 32.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.76 7.7 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 1.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.26 74.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.8 ttm -115.74 -53.81 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mt -117.85 116.36 36.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.785 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 59.9 Cg_endo -73.44 149.39 44.53 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.301 3.334 . . . . 1.0 109.599 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.404 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 9.5 Cg_endo -51.71 -41.67 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.305 3.336 . . . . 1.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.91 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 109.316 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.785 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 35.3 m-20 -82.23 -11.89 58.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 1.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -82.21 -39.08 23.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 mt -60.13 -15.93 27.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -29.81 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 30' ' ' LEU . 11.7 mm -71.81 -44.69 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -48.06 -25.13 3.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 1.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -68.02 -52.43 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.1 0.952 . . . . 1.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 63.4 t80 -48.73 -26.93 2.58 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.803 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.727 ' O ' HG12 ' A' ' 99' ' ' VAL . 73.9 t -97.2 32.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.7 ' O ' HG12 ' A' ' 100' ' ' VAL . 72.7 t -148.68 21.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.71 33.66 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -165.32 -42.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 1.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -156.93 72.22 4.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.448 -1.187 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.676 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.94 -65.66 0.82 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 1.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.83 -28.63 53.1 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 98' ' ' TYR . . . -72.41 -46.63 32.32 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.0 -20.45 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 1.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.67 HD12 ' HD2' ' A' ' 94' ' ' LYS . 29.8 mt -88.3 -42.04 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CD2' ' CE2' ' A' ' 98' ' ' TYR . 2.0 t80 -69.63 -25.29 63.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.984 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -91.55 45.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -169.5 -40.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 1.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -103.06 -5.8 22.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.614 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -130.28 -46.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.984 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.67 -35.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 1.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.81 47.54 3.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 1.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.43 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.9 m-70 -116.87 61.24 2.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 64.2 Cg_endo -73.53 113.96 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.318 3.346 . . . . 1.0 109.624 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 55.47 58.29 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.302 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.476 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 43.4 30.25 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 1.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.85 -151.87 21.32 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.0 m120 -157.24 144.18 18.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 1.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.8 p -113.14 -4.9 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 47' ' ' HIS . 98.5 t -111.14 -57.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' A' ' 46' ' ' VAL . 48.8 m170 -116.41 115.95 39.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 1.0 109.565 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -87.76 14.03 2.47 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.362 3.374 . . . . 1.0 109.607 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.18 -3.87 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.4 mmtt -124.68 87.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -99.91 -179.57 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD12 ' HA2' ' A' ' 42' ' ' GLY . 88.8 mt -89.76 16.29 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.98 128.72 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.3 ttm180 -50.22 -50.0 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 1.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -40.0 -36.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -51.34 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.68 ' NH1' HG13 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -54.86 -18.41 4.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -79.1 -47.35 16.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 1.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -48.57 -52.38 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.78 -27.68 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.47 80.94 0.82 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 1.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.529 HD12 ' CGA' ' A' ' 201' ' ' HEC . 3.9 mt -138.1 55.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 0.803 . . . . 1.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -114.18 59.06 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.48 HG23 ' C ' ' A' ' 63' ' ' ARG . 30.8 p -155.22 146.02 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 110.42 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -60.17 -52.62 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 67' ' ' ASP . 58.2 mtt85 -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.1 m-20 -37.16 -42.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' THR . 30.7 t -85.62 52.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.81 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.54 -65.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 1.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -44.44 -55.81 4.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.886 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.534 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.5 pt -39.77 -36.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 1.4 ttt180 -58.35 -62.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -126.62 74.3 74.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.263 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.554 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 68.9 Cg_endo -81.99 175.4 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 1.0 109.575 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.63 -171.07 47.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.85 155.74 52.86 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.326 3.35 . . . . 1.0 109.58 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.61 -34.16 4.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.21 129.57 25.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.14 0.971 . . . . 1.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.1 Cg_exo -53.79 -147.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.304 3.336 . . . . 1.0 109.623 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.67 161.49 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -142.11 101.97 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 1.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.92 -171.5 37.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' HG2' ' CD ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -76.65 1.62 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 1.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.52 97.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.2 ttm -116.56 -54.24 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -117.76 116.55 36.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.797 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 61.2 Cg_endo -73.72 149.32 42.97 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.439 ' CD ' ' HG2' ' A' ' 84' ' ' GLU . 9.9 Cg_endo -52.03 -41.7 62.8 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.18 -25.09 68.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.797 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 48.9 m-20 -90.78 -8.3 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -87.81 -31.44 19.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.8 -18.7 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.15 -19.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.49 HD11 HD12 ' A' ' 30' ' ' LEU . 12.7 mm -78.28 -49.97 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.444 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -46.21 -25.98 2.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 1.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -66.13 -48.83 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.103 0.954 . . . . 1.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 63.4 t80 -49.6 -27.89 5.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.781 ' O ' HG12 ' A' ' 99' ' ' VAL . 61.3 t -96.01 30.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.654 ' O ' HG12 ' A' ' 100' ' ' VAL . 60.6 t -137.18 12.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.07 49.15 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.77 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -167.92 75.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.269 3.313 . . . . 1.0 109.631 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.666 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.8 -78.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.45 -25.88 21.36 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 98' ' ' TYR . . . -70.48 -47.65 41.31 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.71 -27.49 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 14.2 mt -81.86 -40.39 22.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' ' CE1' ' A' ' 98' ' ' TYR . 2.1 t80 -69.96 -23.67 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.49 45.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.94 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -103.4 -4.73 23.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.599 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -131.75 -47.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.95 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.94 -35.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.65 47.67 3.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.14 . . . . 1.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.24 -31.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.0 m-70 -116.96 60.79 2.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 63.1 Cg_endo -73.72 118.85 5.62 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.313 3.342 . . . . 1.0 109.642 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.8 55.95 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.91 31.54 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.48 -149.97 17.32 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.2 m120 -157.42 144.33 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 1.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.6 p -112.92 -4.11 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 1.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 87.9 t -111.12 -55.31 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.422 ' ND1' HG12 ' A' ' 46' ' ' VAL . 2.5 m-70 -116.06 114.86 41.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -86.05 16.51 1.95 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.315 3.343 . . . . 1.0 109.6 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.11 4.24 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -130.17 91.74 3.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 1.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 29.3 p -101.95 -175.27 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 1.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.526 HD22 HMA3 ' A' ' 201' ' ' HEC . 94.5 mt -93.48 19.53 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 129.48 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 1.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -53.96 -41.16 67.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.77 -41.24 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HB2' HH11 ' A' ' 57' ' ' ARG . 32.7 mmt-85 -86.1 -44.43 12.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.56 ' NH2' ' CBA' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -58.55 -18.88 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -79.69 -47.52 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.4 -50.78 21.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -79.68 -29.98 40.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.74 73.63 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 62' ' ' ILE . 14.5 mt -135.7 57.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -113.2 58.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 1.0 110.304 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.441 ' HG1' ' CG ' ' A' ' 67' ' ' ASP . 24.9 p -152.66 155.05 36.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 1.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 t -66.99 -58.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 1.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 67' ' ' ASP . 77.1 mtt85 -43.4 -62.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.9 OUTLIER -36.41 -42.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 68' ' ' VAL . 60.7 t -83.99 50.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -162.48 -42.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -75.09 -65.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -56.44 4.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.44 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.1 pt -40.57 -36.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 2.2 tmt_? -55.45 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 1.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -124.37 75.96 61.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 66.9 Cg_endo -81.46 174.78 10.22 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.31 3.34 . . . . 1.0 109.605 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.33 48.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.112 . . . . 1.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.73 154.6 54.06 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.316 3.344 . . . . 1.0 109.594 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.35 -34.75 4.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.57 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.76 130.15 24.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.087 0.946 . . . . 1.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.6 Cg_exo -53.98 -146.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.288 3.325 . . . . 1.0 109.626 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.4 161.42 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.24 107.26 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 1.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . -96.56 -168.36 33.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.094 . . . . 1.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.75 11.71 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 1.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.89 -40.93 60.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.7 ttm -113.29 -54.34 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' GLY . 2.6 mt -116.98 117.67 36.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.727 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.0 Cg_endo -73.21 137.17 25.64 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.319 3.346 . . . . 1.0 109.603 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 73.5 Cg_exo -40.92 -44.13 4.83 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.352 3.368 . . . . 1.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.61 88.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.286 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.727 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 29.1 m-20 -71.55 -9.78 58.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -85.75 -32.75 21.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.46 -18.22 57.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.63 25.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 9.4 mm -70.34 -49.47 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -45.27 -28.24 2.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 1.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.6 mt-10 -66.25 -50.17 64.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.149 0.976 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 71.6 t80 -47.62 -28.25 2.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.822 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.783 ' O ' HG12 ' A' ' 99' ' ' VAL . 59.0 t -97.25 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.687 ' O ' HG12 ' A' ' 100' ' ' VAL . 70.8 t -147.2 19.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.59 20.95 6.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 1.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 p -153.73 -45.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -151.84 81.53 5.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.307 3.338 . . . . 1.0 109.588 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.655 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.98 -70.87 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.77 -27.6 64.4 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.47 -42.62 88.83 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.68 -27.93 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 1.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 95' ' ' ILE . 13.1 mt -82.94 -40.48 20.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.8 t80 -73.03 -22.98 60.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 1.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.97 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -94.01 45.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.51 -39.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -102.8 -5.88 23.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.7 m -130.78 -46.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 1.0 108.269 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.97 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.83 -34.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.32 46.95 3.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.62 -31.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.0 m-70 -117.43 60.43 2.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 62.1 Cg_endo -73.86 126.19 10.51 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.341 3.361 . . . . 1.0 109.605 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 48.7 56.09 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.96 24.42 1.36 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.86 -153.02 20.7 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -162.25 151.8 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 1.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.6 p -116.77 -0.25 12.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 1.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 86.6 t -107.89 -56.01 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -116.59 112.96 40.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -84.29 15.13 2.24 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.352 3.368 . . . . 1.0 109.609 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.82 4.78 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 1.0 110.268 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -129.61 87.75 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.5 p -101.17 -172.07 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 1.0 110.441 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.3 mt -97.32 21.49 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.89 136.62 33.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 2.7 ttm-85 -54.66 -40.88 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.5 -51.98 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -36.49 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 1.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.645 HH11 ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -63.12 -15.53 57.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 110.267 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -81.01 -46.41 15.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.0 -54.47 19.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.75 -32.12 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.771 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 85.76 82.43 1.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.56 1.163 . . . . 1.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.555 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 3.9 mt -140.86 59.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 0.763 . . . . 1.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.771 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -114.36 58.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 1.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 63' ' ' ARG . 42.0 p -155.58 146.14 22.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG13 ' HA3' ' A' ' 96' ' ' GLY . 14.5 t -63.82 -52.84 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -45.93 -65.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.5 m-20 -35.99 -35.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 68' ' ' VAL . 97.3 t -90.74 52.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -170.04 -41.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.91 -65.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -44.51 -54.6 5.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.826 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG12 ' CA ' ' A' ' 69' ' ' ALA . 4.5 pt -40.45 -36.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.1 ttt180 -58.3 -62.71 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -128.14 73.37 79.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 65.0 Cg_endo -81.61 175.28 9.63 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.583 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.69 -175.74 47.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 1.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -54.74 154.94 19.04 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.339 3.359 . . . . 1.0 109.569 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.68 -35.01 4.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.561 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.1 ttp -121.75 129.72 25.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 122.053 0.93 . . . . 1.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.563 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 41.6 Cg_exo -54.09 -146.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 1.0 109.6 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.47 160.28 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.343 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -140.39 101.87 4.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.11 -175.54 50.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 1.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.66 8.38 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.8 -44.36 61.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 tpp -101.88 -55.87 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.35 117.68 34.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.789 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.5 Cg_endo -72.21 139.13 31.76 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.297 3.331 . . . . 1.0 109.601 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.61 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.3 Cg_exo -40.58 -46.32 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 1.0 109.587 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.63 84.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.789 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.2 m-20 -71.74 -7.91 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -87.63 -34.93 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.42 -14.64 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -87.76 -17.42 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 30' ' ' LEU . 5.9 mm -81.62 -37.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -56.47 -19.81 27.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 1.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.7 mt-10 -74.77 -53.75 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.103 0.954 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' HE1' ' CD1' ' A' ' 31' ' ' PHE . 69.8 t80 -48.57 -27.95 3.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.877 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.746 ' O ' HG12 ' A' ' 99' ' ' VAL . 75.9 t -95.06 31.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.673 ' O ' HG12 ' A' ' 100' ' ' VAL . 78.3 t -142.76 15.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 1.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.95 51.52 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.05 -34.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -162.82 78.83 1.8 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 111.049 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.599 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.629 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.15 -86.4 1.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 1.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.52 -27.2 8.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.7 -41.4 89.3 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.5 -29.06 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 1.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' HD2' ' A' ' 94' ' ' LYS . 14.7 mt -81.08 -40.51 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 2.8 t80 -75.16 -17.22 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.937 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -98.14 43.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -172.72 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -102.02 -5.23 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ALA . 4.4 m -132.88 -47.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 108.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.937 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.78 -33.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.65 47.19 3.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.13 -32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.8 m-70 -117.47 60.95 3.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.641 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 65.7 Cg_endo -73.35 119.48 6.01 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.298 3.332 . . . . 1.0 109.6 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 43' ' ' GLY . 27.4 mt-30 53.11 59.71 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 1.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.504 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 42.54 26.43 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 1.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -105.68 -147.52 15.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -170.63 141.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.402 HG23 ' HG3' ' A' ' 40' ' ' PRO . 25.1 p -108.79 3.63 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 1.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.43 -58.04 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.488 ' CD2' ' CGD' ' A' ' 201' ' ' HEC . 2.6 m-70 -116.94 119.21 35.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 1.0 109.575 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -87.71 11.98 3.02 Favored 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.326 3.351 . . . . 1.0 109.566 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -130.43 4.74 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.322 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.31 70.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' NH2' ' A' ' 56' ' ' ARG . 34.1 p -86.92 -170.76 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD22 HH11 ' A' ' 57' ' ' ARG . 83.6 mt -96.38 23.04 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.12 131.19 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.1 ttt180 -50.39 -49.43 54.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.22 -36.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' NH2' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -89.35 -50.02 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 1.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.836 ' HE ' HMA3 ' A' ' 201' ' ' HEC . 0.0 OUTLIER -55.1 -18.97 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.6 pt-20 -78.46 -47.17 18.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.01 -50.86 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.46 -27.7 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.28 72.23 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 1.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 62' ' ' ILE . 5.2 mt -133.92 60.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -114.9 55.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 1.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 63' ' ' ARG . 62.1 p -155.61 151.69 27.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 110.469 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.66 -58.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' ASP . 75.6 mtt85 -44.31 -62.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.2 m-20 -36.58 -41.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 68' ' ' VAL . 43.6 t -86.46 52.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -166.51 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.36 -65.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -44.39 -55.68 4.81 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.55 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.8 pt -40.57 -36.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -56.92 -64.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 1.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.14 75.32 72.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 73.9 Cg_endo -82.89 175.65 8.42 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.304 3.336 . . . . 1.0 109.621 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.27 -176.0 47.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 1.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -54.84 156.15 16.06 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.274 3.316 . . . . 1.0 109.587 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.28 -34.44 4.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 1.0 111.02 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -121.82 129.88 24.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.14 0.971 . . . . 1.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' A' ' 79' ' ' MET . 43.9 Cg_exo -53.96 -145.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.299 3.333 . . . . 1.0 109.603 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.89 161.76 41.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 109.307 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -142.08 98.2 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . -88.75 -169.56 44.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.19 8.37 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 1.0 110.287 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.7 -40.39 66.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.61 -54.31 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 83' ' ' GLY . 3.2 mt -119.6 117.24 32.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.8 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 60.1 Cg_endo -73.34 149.23 44.77 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.312 3.341 . . . . 1.0 109.607 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.72 -41.72 60.49 Favored 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 124.307 3.338 . . . . 1.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.39 67.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.337 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.8 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.1 m-20 -91.79 -7.59 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.55 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -88.89 -31.05 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 1.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.18 -18.12 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.676 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -85.42 -17.44 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.6 mm -81.16 -34.15 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -58.95 -15.97 30.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' VAL . 7.5 mt-10 -74.31 -52.17 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.067 0.937 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 23.4 t80 -49.24 -27.63 3.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.777 ' O ' HG12 ' A' ' 99' ' ' VAL . 53.8 t -95.99 31.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.688 ' O ' HG12 ' A' ' 100' ' ' VAL . 69.5 t -145.85 18.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.62 39.18 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.1 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.408 ' N ' ' HD3' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -158.69 70.47 3.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 1.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 103' ' ' PHE . 61.1 Cg_exo . . . . . 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.596 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.836 HMA3 ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.14 -67.69 1.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 1.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.96 -28.08 57.59 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.85 -45.58 50.91 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.04 -25.78 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 1.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 16.8 mt -82.82 -42.2 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' PHE . 1.8 t80 -70.62 -21.8 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -93.8 44.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.65 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -102.49 -5.81 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.651 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 4.0 m -131.64 -47.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 108.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.944 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.82 -34.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.71 46.84 3.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.471 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.64 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-70 -117.36 60.94 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.593 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 64.0 Cg_endo -73.56 129.41 13.67 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.313 3.342 . . . . 1.0 109.609 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 46.63 49.33 13.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.41 18.78 7.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 1.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.81 -154.38 27.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -161.02 140.41 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 40' ' ' PRO . 20.3 p -106.31 2.75 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.71 -59.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -117.2 116.46 37.51 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -88.13 12.08 2.94 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.331 3.354 . . . . 1.0 109.554 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.55 -2.25 8.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 1.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -128.5 89.89 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.9 p -101.66 -167.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 88.0 mt -96.81 21.09 10.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 1.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.72 132.05 35.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HA ' ' HB2' ' A' ' 57' ' ' ARG . 9.9 ttt180 -53.6 -32.96 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.15 -43.75 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.83 -35.92 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 52' ' ' LEU . 3.3 mmm-85 -66.31 -8.22 23.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.3 pt-20 -85.07 -46.94 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.513 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -55.23 -53.44 56.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -80.06 -34.39 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 57' ' ' ARG . . . 86.19 81.34 1.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 1.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.472 HD12 ' CGA' ' A' ' 201' ' ' HEC . 4.4 mt -139.82 59.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 1.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.65 57.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.479 HG23 ' C ' ' A' ' 63' ' ' ARG . 32.9 p -155.31 149.53 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.73 -55.45 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' ALA . 26.7 mtt-85 -46.65 -66.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 1.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 6.1 m-20 -37.01 -37.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 68' ' ' VAL . 90.3 t -86.54 49.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -162.13 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -74.93 -64.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -45.5 -55.95 5.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.843 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.48 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.4 pt -41.14 -35.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -58.2 -64.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -125.6 73.38 68.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 74.1 Cg_endo -80.78 174.88 10.57 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.28 3.32 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.96 -172.04 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 1.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.93 155.27 56.11 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.338 3.358 . . . . 1.0 109.588 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.38 -33.9 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 1.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.579 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -119.93 129.84 25.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 122.079 0.943 . . . . 1.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 79' ' ' MET . 44.5 Cg_exo -53.71 -145.5 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.352 3.368 . . . . 1.0 109.57 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.07 158.89 38.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -142.61 100.7 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.78 -169.45 35.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 1.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -0.03 16.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 1.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.75 98.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.1 ttm -117.3 -55.01 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -117.37 116.98 36.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.797 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 60.3 Cg_endo -73.28 148.69 44.14 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.329 3.353 . . . . 1.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.35 -40.52 61.77 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.328 3.352 . . . . 1.0 109.619 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.97 -23.26 67.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.797 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.1 m-20 -92.71 -7.81 45.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.48 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -90.42 -25.99 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.11 -19.86 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -84.17 -22.32 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 1.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 6.1 mm -75.48 -42.78 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -52.55 -25.35 20.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.8 mt-10 -70.5 -52.83 19.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.108 0.956 . . . . 1.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 83.3 t80 -48.35 -27.83 2.8 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.745 ' O ' HG12 ' A' ' 99' ' ' VAL . 73.7 t -96.69 32.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.644 ' O ' HG12 ' A' ' 100' ' ' VAL . 76.6 t -139.14 13.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.42 57.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.72 -33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -170.28 75.52 0.62 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 111.027 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 N--CA 1.447 -1.214 0 C-N-CA 124.265 3.31 . . . . 1.0 109.613 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.633 HBB3 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.27 -83.03 0.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 1.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.64 -26.97 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.12 79.91 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.82 -26.68 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 1.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 47.1 mt -85.22 -44.26 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 2.1 t80 -70.54 -18.99 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.934 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -95.33 43.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -171.26 -39.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -102.4 -1.56 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.654 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -136.69 -47.49 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 1.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.33 -35.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.24 46.85 3.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 1.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 169.05 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.1 m-70 -117.03 61.09 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 109.611 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 76.7 Cg_endo -72.7 114.94 4.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 1.0 109.55 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 54.29 59.91 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.325 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 45.58 26.73 1.81 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 1.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.428 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -105.93 -159.12 22.49 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 3.6 m120 -149.98 143.87 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 p -108.92 -1.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 1.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 47' ' ' HIS . 99.0 t -113.53 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 1.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.591 ' CD2' HG12 ' A' ' 46' ' ' VAL . 42.5 m170 -116.16 110.97 42.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.589 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.82 17.02 1.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.359 3.373 . . . . 1.0 109.587 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.68 3.0 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 110.267 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.3 mmtp -130.07 70.39 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.7 p -82.41 -175.38 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD22 HMA3 ' A' ' 201' ' ' HEC . 91.1 mt -92.95 21.92 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.05 128.8 36.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 10.6 ttt180 -48.91 -53.01 21.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.02 -30.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -93.66 -53.7 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -16.06 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 1.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.537 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.0 pt-20 -81.74 -49.05 10.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.3 -46.85 25.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 1.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -79.33 -24.71 42.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.352 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.74 70.07 1.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 62' ' ' ILE . 13.7 mt -135.03 59.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.76 . . . . 1.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' C ' HG23 ' A' ' 64' ' ' THR . 0.2 OUTLIER -115.46 58.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 63' ' ' ARG . 25.5 p -154.47 146.79 23.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.4 -50.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASP . 55.2 mtt85 -48.36 -66.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' ARG . 9.8 m-20 -37.03 -40.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 t -89.0 53.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -172.51 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -80.97 -65.56 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.63 -52.44 6.37 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.805 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.43 HG12 ' CA ' ' A' ' 69' ' ' ALA . 3.7 pt -40.47 -36.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.688 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -52.91 -66.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -124.69 78.89 63.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.652 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 60.5 Cg_endo -85.21 175.95 6.13 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.285 3.323 . . . . 1.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.36 -169.71 45.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 1.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.39 154.89 55.63 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.246 3.297 . . . . 1.0 109.634 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.31 -34.69 4.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.103 . . . . 1.0 111.055 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.583 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -121.35 129.57 25.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.052 0.929 . . . . 1.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.652 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 44.8 Cg_exo -53.41 -146.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.329 3.353 . . . . 1.0 109.619 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.21 162.53 41.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -143.18 107.05 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.71 -169.22 32.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 1.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.28 7.95 12.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 1.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.41 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.9 ttm -115.34 -53.31 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.87 116.95 37.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 55.8 Cg_endo -72.83 140.24 31.72 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.338 3.358 . . . . 1.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.688 ' HG3' ' NH2' ' A' ' 73' ' ' ARG . 72.2 Cg_exo -41.44 -45.57 5.99 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.312 3.341 . . . . 1.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.14 80.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.582 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 11.1 m-20 -70.22 -11.1 60.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -80.96 -38.05 28.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.04 -12.91 29.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -32.71 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 12.4 mm -69.07 -48.35 69.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.76 -27.2 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.7 mt-10 -65.36 -49.83 67.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.117 0.96 . . . . 1.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 53.5 t80 -48.11 -27.97 2.64 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.816 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 99' ' ' VAL . 72.8 t -97.24 34.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 1.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.696 ' O ' HG12 ' A' ' 100' ' ' VAL . 70.3 t -144.07 17.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.83 35.77 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 41.4 p -170.54 -40.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -159.36 75.07 3.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo . . . . . 0 N--CA 1.447 -1.244 0 C-N-CA 124.31 3.34 . . . . 1.0 109.616 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.699 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.8 -79.83 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 1.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.15 -26.86 13.37 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.09 -45.53 55.9 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -53.76 -21.84 8.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 1.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' A' ' 94' ' ' LYS . 27.8 mt -89.31 -43.41 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 1.9 t80 -71.01 -20.47 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.951 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -94.59 44.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.84 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -102.28 -5.45 24.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 1.0 109.621 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.5 m -132.05 -46.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 108.343 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.951 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.26 -36.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.46 47.94 3.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 1.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 168.37 -31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.2 m-70 -116.99 61.37 2.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 67.9 Cg_endo -72.89 124.81 9.93 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.305 3.337 . . . . 1.0 109.6 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' PRO . 8.9 pt20 46.29 47.94 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.16 26.38 49.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . -101.88 -157.96 26.47 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 6.4 m120 -150.24 143.44 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 p -108.71 -5.54 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.538 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 98.4 t -111.89 -57.02 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.407 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 1.9 m-70 -116.0 108.34 46.49 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 1.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -81.88 16.34 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.292 3.328 . . . . 1.0 109.638 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -128.97 3.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 110.324 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.5 mttt -126.68 74.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 p -85.15 -177.73 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD22 HMA3 ' A' ' 201' ' ' HEC . 95.0 mt -91.16 17.42 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 130.03 41.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.233 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' NH1' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -49.18 -52.95 23.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.59 -31.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.51 -52.02 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' CD1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -57.2 -15.78 6.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 4.3 pt-20 -83.44 -49.09 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.548 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.5 -41.76 21.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -78.55 -27.22 45.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . 89.18 54.5 2.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.141 . . . . 1.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.72 ' O ' HG22 ' A' ' 62' ' ' ILE . 12.1 mt -121.65 62.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 1.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -112.24 55.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 1.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 63' ' ' ARG . 1.8 p -158.97 168.58 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 110.35 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t -81.57 -54.53 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 67' ' ' ASP . 47.6 mtt-85 -42.64 -63.99 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 66' ' ' ARG . 7.4 m-20 -34.9 -42.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.2 t -83.99 50.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -164.11 -42.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.27 -65.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -44.82 -55.9 4.98 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.823 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' CA ' ' A' ' 69' ' ' ALA . 5.7 pt -40.28 -36.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.529 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.6 ttt180 -57.15 -65.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.51 74.32 68.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 70.4 Cg_endo -81.18 174.98 10.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 1.0 109.628 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.3 -170.83 47.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 1.0 111.013 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.95 155.23 56.46 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.255 3.304 . . . . 1.0 109.619 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.52 -34.26 4.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.075 . . . . 1.0 111.022 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.576 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -120.32 129.91 25.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 122.063 0.935 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.9 Cg_exo -53.82 -145.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.318 3.345 . . . . 1.0 109.649 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.68 159.89 39.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -142.09 103.27 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 1.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.57 -168.92 35.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.17 4.49 14.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.84 85.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 ttm -114.46 -53.97 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.51 117.65 37.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.816 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.9 Cg_endo -72.54 138.56 29.8 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.29 3.327 . . . . 1.0 109.584 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.605 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 73.0 Cg_exo -41.3 -44.96 5.74 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.322 3.348 . . . . 1.0 109.544 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.95 87.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.816 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.5 m-20 -74.1 -5.11 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -88.98 -33.31 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 1.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.62 -15.63 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.616 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.24 -18.58 29.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.0 mm -78.94 -47.59 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -47.85 -25.33 3.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -67.2 -49.83 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.094 0.95 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 56.2 t80 -49.71 -28.22 5.77 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 99' ' ' VAL . 66.4 t -93.92 29.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 100' ' ' VAL . 55.9 t -138.82 13.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.33 44.87 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.19 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.946 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CD1' ' NH1' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -164.06 78.68 1.53 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 110.97 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 N--CA 1.447 -1.263 0 C-N-CA 124.318 3.345 . . . . 1.0 109.602 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.678 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.57 -74.79 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.3 -30.22 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.016 -0.833 . . . . 1.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' CA ' ' CD1' ' A' ' 98' ' ' TYR . . . -72.42 -50.66 15.05 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -49.75 -22.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 HD12 HD11 ' A' ' 95' ' ' ILE . 30.8 mt -84.38 -42.1 16.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.3 t80 -69.63 -23.01 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.73 45.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.5 -39.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 1.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -102.72 -7.29 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.604 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.9 m -128.86 -46.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 1.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.962 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.94 -33.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.97 47.0 3.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.96 -31.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.5 m-70 -117.24 60.85 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 63.5 Cg_endo -73.79 131.37 15.73 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.274 3.316 . . . . 1.0 109.631 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 46.07 48.31 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.307 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.92 18.97 6.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.9 -147.83 22.54 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -166.64 153.45 9.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 1.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -117.39 0.26 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.581 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 67.8 t -107.63 -56.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.41 ' CD2' HAD1 ' A' ' 201' ' ' HEC . 2.8 m-70 -116.77 115.14 39.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -84.96 14.48 2.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.347 3.365 . . . . 1.0 109.595 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -132.19 5.28 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' ' CGD' ' A' ' 201' ' ' HEC . 18.1 mmtt -129.39 90.32 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 p -102.84 -170.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -97.16 21.44 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.77 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -54.16 -43.75 70.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.9 -41.85 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -47.31 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.512 HH12 HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -55.62 -18.77 8.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 1.0 110.32 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.9 pt-20 -77.79 -46.8 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.77 -51.74 37.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -78.59 -33.95 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.42 73.75 1.27 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 1.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 62' ' ' ILE . 9.4 mt -136.2 55.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 1.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.68 56.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.315 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.48 HG23 ' C ' ' A' ' 63' ' ' ARG . 35.7 p -154.85 153.84 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.378 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -65.78 -59.93 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ASP . 4.9 mmt-85 -43.32 -62.11 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 1.0 110.347 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.2 m-20 -36.13 -38.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 68' ' ' VAL . 76.3 t -86.64 50.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -163.55 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -74.67 -65.0 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.3 m-85 -46.58 -56.32 6.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.019 -0.992 . . . . 1.0 109.818 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.464 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.8 pt -40.48 -36.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 1.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -57.52 -66.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 1.0 110.299 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -124.69 73.94 63.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 1.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.5 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 73.0 Cg_endo -80.51 175.11 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 1.0 109.623 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.06 -171.48 47.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 1.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.64 153.96 63.43 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.319 3.346 . . . . 1.0 109.63 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.86 -34.45 5.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 1.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.57 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -119.88 130.16 24.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.097 0.951 . . . . 1.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.5 Cg_exo -54.1 -144.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.361 3.374 . . . . 1.0 109.625 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.03 158.46 39.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 1.0 109.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -142.06 104.9 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.5 -168.89 31.4 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.66 2.64 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.51 96.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.2 ttm -115.37 -53.88 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.71 117.36 40.15 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.785 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 61.6 Cg_endo -74.2 148.53 39.34 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.284 3.323 . . . . 1.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.95 -41.25 64.69 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.303 3.336 . . . . 1.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.19 -25.54 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 1.0 109.271 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.785 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 4.3 m-20 -89.93 -11.16 42.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.91 -30.51 24.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.58 -19.95 64.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -24.59 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.49 HD11 HD12 ' A' ' 30' ' ' LEU . 9.1 mm -73.06 -43.73 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -53.63 -28.03 36.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 1.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.4 mt-10 -68.23 -51.73 42.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.037 0.923 . . . . 1.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CD1' ' CA ' ' A' ' 28' ' ' GLY . 67.3 t80 -48.01 -27.36 2.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.811 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 99' ' ' VAL . 78.5 t -98.09 33.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.696 ' O ' HG12 ' A' ' 100' ' ' VAL . 71.6 t -147.15 20.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.77 28.22 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -162.89 -43.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -153.57 72.53 6.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.338 3.359 . . . . 1.0 109.56 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.642 HBB3 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.08 -75.77 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.18 -25.45 64.57 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.23 -45.3 71.4 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -52.69 -25.28 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 1.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.442 HD12 HD11 ' A' ' 95' ' ' ILE . 19.3 mt -85.2 -40.86 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 1.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 1.8 t80 -74.32 -18.81 60.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 1.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.952 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.52 44.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -172.0 -39.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 1.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -102.21 -5.31 24.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.582 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 37' ' ' GLY . 4.2 m -132.4 -47.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.952 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.51 46.47 3.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 1.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.85 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.3 m-70 -117.22 60.72 2.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 62.5 Cg_endo -73.83 129.05 13.01 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.292 3.328 . . . . 1.0 109.616 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.23 50.43 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 1.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.23 18.76 7.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 1.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.03 -159.92 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -155.36 151.54 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 1.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.3 p -115.06 1.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.0 110.435 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.555 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 77.2 t -109.76 -56.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.686 ' CD2' ' CGD' ' A' ' 201' ' ' HEC . 2.2 m-70 -116.7 116.78 38.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.589 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.54 13.16 2.72 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 1.0 109.613 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -127.84 1.7 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 110.335 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -128.63 91.62 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -104.51 -173.13 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 110.43 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 87.3 mt -94.15 19.58 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.79 135.2 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLU . 13.9 ttm180 -52.54 -38.1 59.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 1.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.35 -53.78 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -27.66 33.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.657 ' NH1' HG12 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -71.25 -14.92 62.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.0 pt-20 -82.65 -47.07 12.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 1.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.43 -51.14 37.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -78.07 -29.62 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.34 70.49 1.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 1.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.723 ' O ' HG22 ' A' ' 62' ' ' ILE . 18.2 mt -130.9 55.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 64' ' ' THR . 3.5 mtm180 -108.6 58.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 63' ' ' ARG . 4.2 p -158.66 160.48 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 1.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -75.92 -52.42 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -42.97 -66.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.5 m-20 -35.47 -44.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 68' ' ' VAL . 55.6 t -83.16 51.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -166.56 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.65 -65.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.01 -55.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.834 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.57 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.1 pt -40.69 -36.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 72' ' ' ILE . 5.9 ttt180 -60.59 -62.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -128.26 72.83 79.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.553 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 68.8 Cg_endo -81.56 176.1 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.317 3.345 . . . . 1.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -90.68 -175.12 44.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -54.15 154.44 18.27 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.371 3.381 . . . . 1.0 109.594 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.65 -34.87 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.556 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -121.91 129.84 24.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.102 0.953 . . . . 1.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 79' ' ' MET . 39.7 Cg_exo -54.43 -145.12 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.362 3.374 . . . . 1.0 109.556 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.26 164.28 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.281 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -147.86 103.75 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.98 -169.51 32.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.84 2.13 15.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 1.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.5 98.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.8 ttm -117.57 -54.46 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mt -117.15 117.01 37.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.776 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.7 Cg_endo -72.89 149.66 47.92 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.315 3.344 . . . . 1.0 109.631 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.44 -41.58 59.18 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.578 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.13 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.293 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.776 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.2 m-20 -86.0 -10.28 55.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -86.04 -35.21 20.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.14 -16.22 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -87.87 -19.66 27.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD11 HD12 ' A' ' 30' ' ' LEU . 6.0 mm -79.88 -40.79 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -53.3 -22.44 14.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 1.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.3 mt-10 -71.24 -53.73 13.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.121 0.962 . . . . 1.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -48.02 -26.88 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.836 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 99' ' ' VAL . 73.9 t -96.87 32.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.685 ' O ' HG12 ' A' ' 100' ' ' VAL . 72.3 t -145.66 18.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.51 46.16 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.87 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -161.63 77.71 2.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.344 3.363 . . . . 1.0 109.596 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.686 ' CGD' ' CD2' ' A' ' 47' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.287 -0.635 . . . . 1.0 109.287 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.63 -72.88 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 1.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.51 -28.31 64.8 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.29 -39.78 92.0 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -59.26 -27.92 66.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 95' ' ' ILE . 42.5 mt -84.97 -45.56 12.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 2.5 t80 -68.0 -29.5 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.979 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -89.53 46.34 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -169.59 -40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -103.26 -6.96 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -128.8 -46.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 108.34 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.979 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.12 -34.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.14 46.76 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 1.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.86 -31.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -116.9 61.52 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 1.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 93.5 Cg_endo -70.13 122.91 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.298 3.332 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 40' ' ' PRO . 14.4 pt20 46.36 49.63 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 56.82 24.82 50.61 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.436 1.085 . . . . 1.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -101.37 -157.86 26.99 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 4.5 m120 -150.59 143.22 24.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.9 p -108.19 -2.78 19.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 1.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG12 ' CD2' ' A' ' 47' ' ' HIS . 98.7 t -113.71 -58.14 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.616 ' CD2' HG12 ' A' ' 46' ' ' VAL . 42.5 m170 -116.03 109.61 44.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.577 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.27 15.88 2.0 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 1.0 109.609 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.65 -0.6 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 10.9 mmtt -126.8 74.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 p -88.26 -177.63 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD23 HBA1 ' A' ' 201' ' ' HEC . 96.4 mt -92.64 21.74 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.01 130.77 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' GLU . 4.0 ttp180 -51.13 -50.92 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -39.83 -35.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -52.02 5.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -54.42 -18.38 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -77.96 -40.9 37.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -56.6 -58.43 8.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.42 -28.85 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.55 88.42 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 1.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 62' ' ' ILE . 5.2 mt -142.49 36.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -98.13 64.57 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.536 ' HG1' ' CG ' ' A' ' 67' ' ' ASP . 38.3 p -155.68 149.16 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 110.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.81 -56.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ASP . 7.8 mtt-85 -45.05 -65.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.536 ' CG ' ' HG1' ' A' ' 64' ' ' THR . 2.0 m-20 -35.84 -38.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.226 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 68' ' ' VAL . 62.6 t -87.76 51.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -164.57 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.18 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -45.7 -56.35 5.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.82 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.542 HD11 ' HB1' ' A' ' 92' ' ' ALA . 7.1 pt -40.05 -37.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.51 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.6 ttt180 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -127.64 75.06 78.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 69.6 Cg_endo -84.31 175.06 7.57 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 C-N-CA 124.285 3.323 . . . . 1.0 109.605 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.98 -169.17 45.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.25 153.45 65.08 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 1.0 109.582 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.57 -34.88 4.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 1.0 111.049 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.558 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -120.34 131.19 24.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.106 0.955 . . . . 1.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.558 ' O ' ' O ' ' A' ' 79' ' ' MET . 38.9 Cg_exo -54.31 -145.35 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.303 3.335 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -147.98 170.68 17.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 92.6 m-85 -155.16 107.19 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 1.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.19 -168.41 25.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 1.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 4.88 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.88 89.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.3 ttm -115.02 -54.37 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mt -115.67 116.83 40.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.772 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.7 Cg_endo -72.51 140.17 32.64 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.285 3.323 . . . . 1.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.616 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 71.8 Cg_exo -41.35 -46.48 5.72 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.301 3.334 . . . . 1.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.97 81.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 109.336 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.772 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.3 m-20 -70.65 -10.67 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -84.03 -38.57 20.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -15.09 29.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 1.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 -27.69 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.48 HD11 HD12 ' A' ' 30' ' ' LEU . 12.1 mm -73.39 -44.37 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 1.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.4 -26.61 5.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.4 mt-10 -66.61 -51.05 60.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.086 0.946 . . . . 1.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 59.9 t80 -49.31 -26.94 3.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.818 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 99' ' ' VAL . 72.1 t -93.48 29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 100' ' ' VAL . 53.0 t -141.94 16.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.07 47.36 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.35 76.45 1.8 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 1.0 109.594 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.653 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.46 -81.81 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -59.09 -25.79 60.26 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -66.9 -41.82 93.18 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -30.77 62.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 95' ' ' ILE . 58.8 mt -80.07 -42.34 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 4.5 t80 -70.06 -28.31 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.876 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -90.16 46.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -168.42 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -103.15 -7.73 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.7 m -126.68 -45.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 108.282 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.876 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.49 -33.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.61 46.99 3.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.44 -31.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.406 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.5 m-70 -116.71 61.2 2.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.617 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 64.7 Cg_endo -73.66 118.29 5.4 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.277 3.318 . . . . 1.0 109.593 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 52.4 57.31 6.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.39 30.35 2.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.5 -154.79 21.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 9.6 m120 -151.26 143.62 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -110.12 -6.68 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.636 HG12 ' CD2' ' A' ' 47' ' ' HIS . 94.7 t -112.13 -56.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.636 ' CD2' HG12 ' A' ' 46' ' ' VAL . 49.0 m170 -115.57 110.75 44.41 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -82.75 17.22 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.302 3.335 . . . . 1.0 109.6 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.2 pt-20 -129.03 3.37 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 110.31 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.1 mttt -126.71 84.49 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -96.31 179.99 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 1.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -91.91 17.26 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 130.21 35.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 16.8 ttp-105 -48.7 -46.64 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 1.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.89 -46.65 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 1.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 11.2 mmt85 -84.54 -42.71 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.586 HH11 ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -57.85 -17.22 14.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -78.82 -46.88 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.5 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -51.33 -53.02 40.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.1 -30.77 58.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.51 76.13 1.22 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 1.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 62' ' ' ILE . 5.0 mt -138.43 55.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.763 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' C ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -110.96 55.59 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 110.241 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' C ' ' A' ' 63' ' ' ARG . 62.1 p -154.82 144.0 21.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.32 -55.4 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' NH2' HD21 ' A' ' 93' ' ' LEU . 2.6 mtt-85 -43.5 -61.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' ARG . 15.9 m-20 -36.52 -38.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 68' ' ' VAL . 89.0 t -87.67 50.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -163.95 -42.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.59 -64.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -55.92 6.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.818 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.487 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.0 pt -39.9 -36.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.5 ttt180 -66.99 -58.99 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -129.38 73.17 81.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 69.7 Cg_endo -84.08 174.79 8.01 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.318 3.345 . . . . 1.0 109.623 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.87 -170.03 45.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.46 152.8 65.19 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.36 . . . . 1.0 109.515 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.53 -34.97 4.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.551 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.78 131.17 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.047 0.927 . . . . 1.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.551 ' O ' ' O ' ' A' ' 79' ' ' MET . 37.6 Cg_exo -54.47 -145.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -147.48 169.4 19.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 1.0 109.3 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 81.2 m-85 -154.78 107.56 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.0 -168.92 27.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.59 2.93 15.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 1.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.54 96.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.2 ttm -116.05 -54.43 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.3 116.14 37.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.775 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 60.4 Cg_endo -73.71 148.72 42.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.331 3.354 . . . . 1.0 109.639 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.74 -40.9 64.48 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.344 3.363 . . . . 1.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.87 70.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.775 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 4.7 m-20 -84.99 -12.24 53.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -82.47 -38.85 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD21 ' NH2' ' A' ' 66' ' ' ARG . 59.4 mt -60.16 -15.75 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -86.81 -28.62 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 1.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.431 HD11 HD12 ' A' ' 30' ' ' LEU . 8.8 mm -72.64 -44.88 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -48.61 -24.72 4.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 1.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.5 mt-10 -69.6 -53.59 18.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.159 0.98 . . . . 1.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -48.12 -27.52 2.39 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.841 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.731 ' O ' HG12 ' A' ' 99' ' ' VAL . 74.1 t -95.29 32.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 100' ' ' VAL . 52.9 t -141.01 15.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.4 44.73 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.74 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -162.91 77.89 1.83 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo . . . . . 0 N--CA 1.447 -1.232 0 C-N-CA 124.308 3.339 . . . . 1.0 109.556 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.671 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.5 -73.35 0.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.16 -25.74 62.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.843 . . . . 1.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.13 -45.68 61.12 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.58 -26.9 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 1.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 94' ' ' LYS . 27.3 mt -82.58 -41.71 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 1.6 t80 -73.79 -16.78 61.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.93 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -97.13 43.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -172.93 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 1.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -102.54 -4.26 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.577 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' GLY . 4.7 m -134.03 -47.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 1.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.93 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.83 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.78 46.38 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.478 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.81 -31.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.0 m-70 -117.13 60.15 2.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 1.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 59.2 Cg_endo -74.46 129.52 12.93 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.263 3.309 . . . . 1.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 46.65 48.42 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 1.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.65 17.94 9.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.98 -160.68 29.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -154.77 144.74 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 1.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 p -107.47 0.2 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.406 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.531 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 99.6 t -109.95 -56.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -116.62 112.24 41.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.639 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -85.11 15.06 2.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.293 3.329 . . . . 1.0 109.605 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.0 pt-20 -129.73 3.31 4.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 110.268 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.16 90.25 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -101.42 -174.22 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.98 15.57 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.71 131.32 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.5 ttt180 -50.38 -52.98 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -40.41 -34.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 11.3 mmt85 -95.42 -49.0 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.739 HH21 HG22 ' A' ' 62' ' ' ILE . 5.0 mtm180 -57.85 -15.31 8.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 1.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.4 pt-20 -82.25 -48.88 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.547 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.92 -45.08 30.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -79.22 -30.3 43.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.42 71.41 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 1.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.739 HG22 HH21 ' A' ' 57' ' ' ARG . 6.8 mt -138.71 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.772 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.7 56.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 63' ' ' ARG . 40.4 p -156.2 144.7 20.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 1.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.65 -52.23 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ASP . 5.9 mtt85 -45.59 -63.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 1.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.9 m-20 -35.74 -39.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 68' ' ' VAL . 71.4 t -86.0 50.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -166.3 -42.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.64 -65.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -45.4 -55.51 5.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.804 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.559 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.0 pt -40.3 -36.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 1.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -63.03 -59.97 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 1.0 110.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -129.52 72.4 81.96 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.494 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 72.5 Cg_endo -81.97 174.9 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 1.0 109.652 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.88 -170.45 47.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.546 1.154 . . . . 1.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.17 154.28 58.8 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.347 3.365 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.41 -34.38 5.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.56 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.39 129.96 25.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.069 0.938 . . . . 1.0 111.047 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 79' ' ' MET . 40.7 Cg_exo -54.16 -145.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.275 3.317 . . . . 1.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -151.17 164.34 36.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 71.3 m-85 -148.71 103.43 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.71 -168.63 28.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.098 . . . . 1.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.03 0.29 16.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 1.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.85 97.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 1.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.9 ttm -118.95 -54.99 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.82 117.58 37.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.779 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.3 Cg_endo -72.4 140.67 33.84 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.359 . . . . 1.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.6 Cg_exo -41.3 -46.75 5.61 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.321 3.347 . . . . 1.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.77 81.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.324 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.779 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.4 m-20 -71.05 -9.06 57.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -86.92 -35.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.4 mt -61.03 -17.74 53.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -86.0 -19.43 30.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 30' ' ' LEU . 5.8 mm -81.1 -37.74 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 1.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -56.61 -20.84 32.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 100' ' ' VAL . 7.1 mt-10 -74.59 -52.74 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.101 0.953 . . . . 1.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' HE1' ' CD2' ' A' ' 31' ' ' PHE . 67.8 t80 -48.82 -27.42 2.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 99' ' ' VAL . 75.0 t -95.84 30.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.685 ' O ' HG12 ' A' ' 100' ' ' VAL . 82.2 t -147.48 19.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.21 22.91 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 9.6 p -153.13 -45.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -152.21 84.39 4.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 111.023 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 N--CA 1.446 -1.278 0 C-N-CA 124.304 3.336 . . . . 1.0 109.643 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.655 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.79 -74.48 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 1.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.63 -26.31 64.58 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.48 -40.39 91.15 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.91 -28.58 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 1.0 110.261 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.6 mt -82.55 -43.2 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.6 t80 -70.87 -25.47 62.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 1.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.971 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.08 45.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -168.85 -40.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 1.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -102.74 -7.67 21.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 1.0 109.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.4 m -128.17 -46.49 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.971 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.78 -33.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.59 46.14 3.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 169.44 -31.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.8 m-70 -116.85 61.42 2.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 69.0 Cg_endo -72.88 108.88 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.36 3.373 . . . . 1.0 109.587 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 59.75 63.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 41.03 28.18 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -105.84 -158.04 22.37 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 4.6 m120 -151.82 143.59 23.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.424 HG23 ' HG3' ' A' ' 40' ' ' PRO . 1.2 p -109.45 -4.24 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 110.438 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 91.7 t -112.08 -56.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' ND1' HG12 ' A' ' 46' ' ' VAL . 2.3 m-70 -116.1 107.84 47.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 1.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -82.42 19.53 1.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.323 3.349 . . . . 1.0 109.564 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 50' ' ' LYS . 4.7 pt-20 -132.0 4.88 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 110.26 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 19.8 mmtt -130.19 71.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.7 p -83.59 -176.57 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.702 HD23 HBA1 ' A' ' 201' ' ' HEC . 95.7 mt -93.51 19.66 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.2 130.04 35.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 11.8 ttp180 -49.32 -47.06 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.38 -44.09 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -46.5 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.795 HH11 ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -55.12 -18.82 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -78.17 -46.66 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.36 -54.45 21.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.41 -30.85 53.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.35 82.03 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 1.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 57' ' ' ARG . 5.2 mt -142.08 57.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' C ' HG23 ' A' ' 64' ' ' THR . 7.2 mtm180 -115.25 58.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 63' ' ' ARG . 33.6 p -154.67 150.44 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 1.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.508 HG13 ' HA3' ' A' ' 96' ' ' GLY . 42.1 t -66.76 -51.73 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' ASP . 53.0 mtt85 -46.72 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 1.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' ARG . 27.5 m-20 -36.31 -41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 68' ' ' VAL . 43.4 t -86.05 51.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -168.55 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . -78.27 -64.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -41.97 -55.4 3.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.828 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.467 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.0 pt -39.87 -36.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' ALA . 2.3 ttt180 -59.71 -61.28 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 1.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -129.96 73.44 81.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.537 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 67.9 Cg_endo -82.52 174.98 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.348 3.366 . . . . 1.0 109.597 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.33 -170.2 46.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 1.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -61.12 154.49 57.04 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.309 3.339 . . . . 1.0 109.613 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.27 -34.5 4.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 1.0 110.996 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.74 130.45 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 122.095 0.95 . . . . 1.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.559 ' O ' ' O ' ' A' ' 79' ' ' MET . 40.3 Cg_exo -54.21 -146.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.322 3.348 . . . . 1.0 109.571 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.35 161.68 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -145.59 108.67 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.08 -169.58 32.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.566 1.166 . . . . 1.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.64 3.93 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 1.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.46 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 1.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 33.4 ttm -114.9 -54.64 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.13 116.29 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.644 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.5 Cg_endo -73.81 148.57 41.3 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.306 3.337 . . . . 1.0 109.569 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 -40.05 65.59 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.253 3.302 . . . . 1.0 109.589 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.21 -28.5 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.644 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 3.8 m-20 -85.88 -12.98 49.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -82.7 -40.02 21.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 1.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.6 mt -58.61 -17.63 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -25.23 26.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 mm -73.89 -38.74 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 1.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.508 ' HA3' HG13 ' A' ' 65' ' ' VAL . . . -52.18 -23.71 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.0 mt-10 -68.67 -51.72 38.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.079 0.942 . . . . 1.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 31' ' ' PHE . 66.3 t80 -49.27 -28.16 4.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.795 ' CG1' HH11 ' A' ' 57' ' ' ARG . 76.1 t -95.5 30.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 1.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 100' ' ' VAL . 86.7 t -148.05 20.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.88 -6.9 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 97.0 p -130.03 -43.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -147.29 80.34 9.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo . . . . . 0 N--CA 1.447 -1.253 0 C-N-CA 124.355 3.37 . . . . 1.0 109.612 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.702 HBA1 HD23 ' A' ' 52' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.34 -91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 1.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -48.86 -29.42 8.15 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -68.76 -42.84 77.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.28 -25.17 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 95' ' ' ILE . 25.4 mt -88.04 -46.09 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 1.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 3.3 t80 -69.92 -17.72 63.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.921 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.2 43.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -173.78 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -103.28 4.06 36.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -144.13 -47.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 108.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.921 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.59 46.95 3.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.45 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 169.4 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.0 m-70 -116.82 61.33 2.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 66.8 Cg_endo -73.19 114.09 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.367 3.378 . . . . 1.0 109.575 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? 56.11 59.02 3.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 1.0 110.326 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 43.41 29.56 1.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 1.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.89 -151.31 20.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 6.9 m120 -156.04 143.75 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -110.13 -7.62 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.558 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 88.5 t -110.9 -56.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.461 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 2.2 m-70 -116.26 110.3 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.606 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -85.2 17.1 1.83 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.318 3.346 . . . . 1.0 109.582 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 1.4 mm-40 -126.46 3.3 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.0 mmtm -130.6 78.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 p -86.62 -175.38 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 110.428 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD22 HMA3 ' A' ' 201' ' ' HEC . 87.7 mt -93.28 19.34 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 130.7 40.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -49.76 -51.65 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.28 -35.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 16.8 mmt85 -90.48 -46.96 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 103' ' ' PHE . 2.1 mtm-85 -59.61 -15.26 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 1.0 110.235 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -83.99 -48.43 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.53 -45.25 26.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 1.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.81 -25.29 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.747 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 84.32 68.41 1.4 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 1.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.493 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 8.6 mt -135.35 63.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.747 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -116.28 55.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.503 HG23 ' C ' ' A' ' 63' ' ' ARG . 39.7 p -156.18 150.86 25.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.453 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.28 -57.85 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' ASP . 3.2 mtt-85 -43.98 -61.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.3 m-20 -36.24 -43.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 28.7 t -84.55 52.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.59 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.63 -64.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.3 m-85 -44.53 -55.76 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.484 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.4 pt -39.82 -36.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 3.0 tmt_? -57.91 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.58 73.96 74.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.538 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 69.4 Cg_endo -81.74 175.23 9.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.298 3.332 . . . . 1.0 109.549 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.1 -171.1 47.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.06 155.56 55.01 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.295 3.33 . . . . 1.0 109.575 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.14 -34.2 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 1.0 111.008 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.576 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -120.12 130.18 24.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.125 0.964 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 79' ' ' MET . 43.2 Cg_exo -53.8 -145.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.359 3.373 . . . . 1.0 109.609 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.47 158.86 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -140.3 101.6 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.59 -170.4 37.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 1.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.77 3.02 15.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.52 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.7 ttm -116.63 -54.88 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mt -116.62 118.1 37.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.789 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 59.5 Cg_endo -73.13 138.22 27.6 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.329 3.352 . . . . 1.0 109.54 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.533 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.6 Cg_exo -41.2 -44.62 5.46 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.304 3.336 . . . . 1.0 109.627 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.58 87.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.33 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.789 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 7.4 m-20 -72.26 -9.09 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -88.99 -25.55 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.41 -20.32 66.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD2' ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -85.63 -23.57 27.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.498 HD11 HD12 ' A' ' 30' ' ' LEU . 8.7 mm -72.45 -53.64 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -43.79 -28.12 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.6 mt-10 -65.59 -49.26 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.136 0.969 . . . . 1.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.549 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 78.3 t80 -48.26 -26.71 2.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.812 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 99' ' ' VAL . 74.1 t -97.76 33.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 100' ' ' VAL . 73.2 t -145.85 20.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.75 25.3 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 79.1 p -157.48 -45.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.6 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -150.9 84.21 5.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 111.025 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.33 3.353 . . . . 1.0 109.612 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.667 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.14 -91.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 1.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -51.32 -32.65 30.15 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.37 87.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.52 -23.47 67.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.786 . . . . 1.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.529 HD12 HD11 ' A' ' 95' ' ' ILE . 15.8 mt -91.51 -42.26 10.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 1.9 t80 -71.2 -14.92 62.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.934 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.93 42.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -174.3 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.462 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -103.01 3.16 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.632 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.9 m -143.17 -47.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 1.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.41 -35.9 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.57 47.91 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.47 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 167.78 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.7 m-70 -117.49 60.75 3.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 1.0 109.577 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.565 ' HG3' HG23 ' A' ' 45' ' ' THR . 63.4 Cg_endo -73.78 129.66 13.75 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.304 3.336 . . . . 1.0 109.572 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 44.51 60.69 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 110.303 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.58 27.26 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 1.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -109.75 -151.91 13.87 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 1.4 m-20 -162.81 141.06 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.565 HG23 ' HG3' ' A' ' 40' ' ' PRO . 32.4 p -108.04 4.68 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.62 -58.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -116.76 118.68 36.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 1.0 109.557 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.57 12.23 2.97 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.346 3.364 . . . . 1.0 109.62 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mm-40 -127.31 2.05 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.26 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.3 mmpt? -129.96 90.92 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -101.72 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 1.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD22 HMA3 ' A' ' 201' ' ' HEC . 79.9 mt -96.43 20.64 10.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.77 130.16 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' ARG . 7.8 ttt180 -58.36 -30.62 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 1.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.06 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 1.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 8.1 mmt85 -73.74 -23.9 59.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 1.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' ILE . 14.6 mtm180 -71.6 -4.07 25.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 1.0 110.306 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.7 pt-20 -85.97 -48.74 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -57.2 -52.33 65.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.25 -33.82 61.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.787 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 85.58 80.04 1.14 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.586 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 3.8 mt -140.51 62.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.787 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -116.75 54.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 63' ' ' ARG . 35.3 p -156.76 153.12 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.79 -54.36 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ASP . 40.4 mtt85 -45.67 -64.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' ARG . 14.3 m-20 -34.8 -39.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 43.6 t -88.58 53.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -169.26 -40.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.53 -65.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -45.08 -54.41 6.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.856 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG12 ' CA ' ' A' ' 69' ' ' ALA . 4.2 pt -40.75 -36.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.272 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -127.55 76.32 76.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 59.5 Cg_endo -84.77 175.36 6.9 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.298 3.332 . . . . 1.0 109.622 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.04 -174.06 46.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 1.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -56.36 154.94 27.1 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.283 3.322 . . . . 1.0 109.598 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.5 -34.81 4.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.562 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.5 ttp -122.68 129.78 24.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.061 0.934 . . . . 1.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.664 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 41.2 Cg_exo -54.08 -148.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.327 3.351 . . . . 1.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.17 164.96 36.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -144.66 102.26 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -84.64 -173.09 49.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 1.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.44 11.82 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 1.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.61 -44.84 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -55.26 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mt -114.86 117.97 41.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.77 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.6 Cg_endo -72.45 138.88 30.64 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.343 3.362 . . . . 1.0 109.563 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.629 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.5 Cg_exo -40.36 -46.53 4.33 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.296 3.331 . . . . 1.0 109.623 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.07 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.77 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.7 m-20 -70.3 -9.91 57.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -85.07 -38.46 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 72.7 mt -61.45 -14.69 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.35 -25.43 23.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.529 HD11 HD12 ' A' ' 30' ' ' LEU . 12.2 mm -72.26 -53.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -42.0 -27.42 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 100' ' ' VAL . 17.0 mt-10 -66.18 -50.92 62.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.089 0.947 . . . . 1.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' CE2' ' CG ' ' A' ' 31' ' ' PHE . 63.0 t80 -48.84 -26.97 2.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.829 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 99' ' ' VAL . 77.1 t -96.67 32.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.676 ' O ' HG12 ' A' ' 100' ' ' VAL . 87.4 t -147.39 19.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.69 -21.51 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 p -118.18 -48.58 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 1.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.29 85.49 32.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo . . . . . 0 N--CA 1.447 -1.244 0 C-N-CA 124.352 3.368 . . . . 1.0 109.593 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.659 HBB3 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.37 -63.04 3.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 1.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -28.71 65.73 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.2 62.79 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.016 -0.833 . . . . 1.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.45 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 37.6 mt -84.0 -45.21 13.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 1.8 t80 -72.01 -17.2 62.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.918 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.55 43.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -172.35 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -102.14 -4.29 26.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.582 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 4.2 m -134.0 -47.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.918 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.21 -33.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.81 47.08 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.475 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.37 -31.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.42 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.3 m-70 -117.27 60.61 2.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 1.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 62.9 Cg_endo -73.8 126.73 10.95 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.68 51.65 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.01 19.74 5.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.96 -158.96 26.44 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -156.32 150.03 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 1.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.1 p -115.12 1.72 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.407 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.503 HG12 ' CD2' ' A' ' 47' ' ' HIS . 65.3 t -109.63 -58.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.503 ' CD2' HG12 ' A' ' 46' ' ' VAL . 47.9 m170 -117.06 117.55 36.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -87.59 11.3 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.348 3.365 . . . . 1.0 109.533 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -123.49 -2.8 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 110.273 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.2 mmpm? -125.77 86.87 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -101.94 -172.1 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 HMA3 ' A' ' 201' ' ' HEC . 84.5 mt -95.21 19.73 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.73 131.53 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.4 ttt180 -52.18 -50.85 61.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.75 -38.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -49.26 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.639 HH21 HMA3 ' A' ' 201' ' ' HEC . 3.9 mtm-85 -55.93 -16.91 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.2 pt-20 -80.63 -48.46 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -48.01 -46.87 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -77.27 -29.1 53.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 1.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.9 71.3 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.71 HD12 ' CGA' ' A' ' 201' ' ' HEC . 5.4 mt -132.5 59.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.71 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.18 58.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 63' ' ' ARG . 2.0 p -160.33 165.12 31.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 1.0 110.358 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.96 -52.65 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ASP . 33.8 mtt-85 -43.39 -66.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' ARG . 47.5 m-20 -35.29 -45.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 68' ' ' VAL . 38.2 t -83.16 51.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -165.87 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.87 -65.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -42.96 -55.25 3.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.824 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.449 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.0 pt -40.06 -36.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -58.73 -60.87 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -129.15 73.49 81.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 1.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 68.5 Cg_endo -81.76 175.24 9.57 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.296 3.331 . . . . 1.0 109.625 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.13 -171.21 48.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.3 154.54 57.57 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.316 3.344 . . . . 1.0 109.596 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.38 -34.66 4.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 1.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.75 129.96 25.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.118 0.961 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.7 Cg_exo -53.81 -146.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.29 3.327 . . . . 1.0 109.617 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.75 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 1.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -143.15 106.57 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 1.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.54 -170.07 32.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 1.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.51 3.28 16.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 1.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.73 95.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.3 ttm -117.34 -53.34 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.1 mt -116.11 118.05 38.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.771 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.6 Cg_endo -72.92 139.24 29.87 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.295 3.33 . . . . 1.0 109.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.644 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 73.3 Cg_exo -41.05 -46.09 5.15 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.284 3.323 . . . . 1.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.55 83.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.771 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.3 m-20 -69.61 -10.8 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -82.68 -36.79 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 1.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.38 -13.76 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.33 -30.99 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 15.6 mm -68.46 -51.13 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -42.83 -27.79 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.4 mt-10 -65.79 -50.01 66.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.153 0.978 . . . . 1.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.461 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 59.9 t80 -49.56 -28.32 5.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.014 -0.994 . . . . 1.0 109.854 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.77 ' O ' HG12 ' A' ' 99' ' ' VAL . 69.6 t -94.05 29.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.646 ' O ' HG12 ' A' ' 100' ' ' VAL . 69.7 t -137.22 12.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 1.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.26 48.89 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.86 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -166.71 77.73 1.07 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.276 3.317 . . . . 1.0 109.599 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.71 ' CGA' HD12 ' A' ' 62' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.71 -61.83 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -60.16 -32.53 76.54 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.54 -37.48 92.63 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.61 -23.44 64.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 1.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.8 mt -90.1 -42.09 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE1' ' A' ' 98' ' ' TYR . 2.3 t80 -72.04 -16.95 62.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 1.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.929 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -95.89 43.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -173.74 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 1.0 110.447 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -102.89 2.25 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.537 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -141.92 -47.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.322 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.929 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.16 -36.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 109.274 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.91 47.81 3.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.527 1.142 . . . . 1.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.08 -32.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.2 m-70 -117.63 60.61 3.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 63.7 Cg_endo -73.82 129.92 14.0 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.29 3.327 . . . . 1.0 109.546 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 45.66 51.33 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.32 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.58 19.97 5.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 1.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.67 -157.03 26.62 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -159.26 146.28 17.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -111.09 0.79 17.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.379 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 60.2 t -107.37 -56.82 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -116.67 117.15 38.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.598 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -86.81 13.48 2.7 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 1.0 109.624 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -131.32 4.42 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.262 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -129.95 91.39 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -102.61 -165.16 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.433 HD22 HMA3 ' A' ' 201' ' ' HEC . 89.6 mt -101.05 23.96 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.15 132.86 34.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' GLU . 9.2 ttm-85 -52.52 -44.36 65.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.89 -42.2 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -47.91 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.52 -19.11 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -77.24 -40.87 43.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 1.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -56.56 -54.37 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -74.52 -33.17 62.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.2 74.5 1.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ARG . 3.2 mt -142.27 56.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -113.09 55.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 1.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 63' ' ' ARG . 65.4 p -155.44 150.61 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG13 ' HA3' ' A' ' 96' ' ' GLY . 39.0 t -63.77 -58.48 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -44.54 -63.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -37.25 -42.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 68' ' ' VAL . 52.7 t -83.26 50.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -163.84 -42.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.44 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.1 m-85 -43.13 -55.27 3.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 92' ' ' ALA . 4.7 pt -40.41 -36.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.2 ttt180 -58.07 -61.63 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -127.44 76.55 76.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.66 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 59.6 Cg_endo -85.04 175.94 6.27 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.333 3.355 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.9 -174.41 45.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 1.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.54 155.78 20.1 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.49 -34.65 4.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 1.0 111.017 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.569 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -122.76 130.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.076 0.941 . . . . 1.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.66 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 43.7 Cg_exo -53.89 -146.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 1.0 109.619 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.4 166.55 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -147.68 106.46 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.66 -171.0 31.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 1.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.64 2.17 17.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.4 ttm -118.81 -52.7 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.38 117.49 40.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.647 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.1 Cg_endo -73.14 139.13 29.09 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.344 3.363 . . . . 1.0 109.632 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.622 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.2 Cg_exo -41.05 -45.41 5.19 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.259 3.306 . . . . 1.0 109.642 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.69 81.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.647 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 16.6 m-20 -70.14 -10.61 59.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -84.54 -38.89 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.56 -15.36 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.95 -22.78 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.7 mm -74.66 -40.33 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.48 ' HA3' HG13 ' A' ' 65' ' ' VAL . . . -51.66 -21.8 7.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 1.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' VAL . 8.2 mt-10 -73.54 -55.15 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.099 0.952 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.703 ' CE1' ' CG ' ' A' ' 31' ' ' PHE . 87.1 t80 -43.85 -28.8 0.47 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.768 ' O ' HG12 ' A' ' 99' ' ' VAL . 77.3 t -97.19 39.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 100' ' ' VAL . 74.5 t -150.21 21.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.42 29.07 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 p -161.61 -43.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.993 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -156.09 74.27 4.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 1.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.346 3.364 . . . . 1.0 109.592 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.643 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.76 -61.94 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 1.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -48.21 -34.78 13.2 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -45.55 48.8 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.81 -25.22 26.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 1.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD12 HD11 ' A' ' 95' ' ' ILE . 35.7 mt -83.9 -45.42 13.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 4.8 t80 -67.67 -19.97 65.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.909 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -94.21 43.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -173.27 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 1.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -105.01 5.26 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 4.3 m -144.0 -48.08 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 108.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.909 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.92 -32.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.94 45.65 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 1.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 169.83 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.409 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.9 m-70 -116.95 61.03 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 109.645 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' HG3' HG23 ' A' ' 45' ' ' THR . 64.4 Cg_endo -73.64 130.74 15.13 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.303 3.336 . . . . 1.0 109.565 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 44.17 57.45 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.8 24.4 1.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 1.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.75 -157.56 21.3 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 1.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -156.15 141.01 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.484 HG23 ' HG3' ' A' ' 40' ' ' PRO . 2.3 p -103.72 0.09 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 110.416 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' CD2' ' A' ' 47' ' ' HIS . 96.6 t -109.99 -56.53 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.545 ' CD2' HG12 ' A' ' 46' ' ' VAL . 48.5 m170 -116.48 115.59 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -85.87 15.58 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.319 3.346 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.03 6.34 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 1.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -129.59 77.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.466 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 54.8 p -91.26 -167.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 1.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD23 ' O1A' ' A' ' 201' ' ' HEC . 71.4 mt -108.09 28.86 7.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.91 131.04 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -49.85 -50.49 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.95 -33.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -43.45 8.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' CZ ' ' CBA' ' A' ' 201' ' ' HEC . 8.2 mmp_? -65.77 -7.77 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 5.3 pt-20 -86.18 -48.53 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -52.0 -48.61 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -80.46 -40.42 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' CA ' ' NH1' ' A' ' 63' ' ' ARG . . . 95.19 78.61 1.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 4.3 mt -142.47 56.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.743 . . . . 1.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' NH1' ' CA ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -117.55 58.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 1.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 63' ' ' ARG . 32.7 p -151.58 144.47 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.1 t -59.27 -53.15 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' ASP . 28.2 mmt-85 -45.7 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ARG . 52.9 m-20 -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 27.9 t -84.42 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 1.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -167.01 -41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.84 -65.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 1.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -45.31 -55.13 6.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.839 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.496 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.6 pt -39.98 -36.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.564 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -64.23 -58.15 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -129.48 73.81 81.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.368 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 72.2 Cg_endo -84.14 176.47 6.65 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.28 3.32 . . . . 1.0 109.588 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.44 -175.42 43.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 1.0 110.98 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.94 154.87 16.06 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.348 3.365 . . . . 1.0 109.551 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.24 -34.68 4.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 111.02 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -120.89 131.03 24.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.091 0.948 . . . . 1.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.553 ' O ' ' O ' ' A' ' 79' ' ' MET . 38.5 Cg_exo -54.68 -144.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.327 3.352 . . . . 1.0 109.589 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.43 167.76 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.346 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -152.05 105.22 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 1.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.79 -169.37 28.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 1.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.88 3.17 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 1.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.17 98.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.0 ttm -115.89 -54.17 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 mt -114.83 117.5 41.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.707 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.3 Cg_endo -72.25 140.34 33.76 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.333 3.356 . . . . 1.0 109.616 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 72.1 Cg_exo -40.91 -46.36 4.96 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.342 3.361 . . . . 1.0 109.605 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.76 83.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.332 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.707 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 3.5 m-20 -69.25 -11.52 60.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 1.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -82.56 -38.98 22.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.44 -14.48 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.36 -31.31 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.578 HD11 HD12 ' A' ' 30' ' ' LEU . 7.0 mm -70.63 -50.77 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -45.34 -26.88 1.64 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 17.6 mt-10 -68.25 -49.28 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.09 0.948 . . . . 1.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -50.77 -28.49 9.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.036 -0.983 . . . . 1.0 109.832 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.746 ' O ' HG12 ' A' ' 99' ' ' VAL . 68.9 t -91.42 24.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 100' ' ' VAL . 74.3 t -136.73 9.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.58 -23.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.578 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 6.2 p -105.84 -12.65 15.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER 174.34 86.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 1.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo . . . . . 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.561 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.631 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.263 -0.643 . . . . 1.0 109.263 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 51.7 -90.47 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.483 1.114 . . . . 1.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -56.01 -30.15 56.79 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.46 -35.93 91.95 Favored Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.71 -27.55 69.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 1.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 95' ' ' ILE . 34.3 mt -88.01 -44.86 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' C ' ' CD2' ' A' ' 31' ' ' PHE . 2.9 t80 -67.51 -25.04 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.925 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.0 45.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -171.48 -39.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 110.37 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -104.77 3.1 30.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 1.0 109.575 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -140.82 -47.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 1.0 108.347 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.925 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.26 -36.58 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 1.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.02 47.98 3.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 1.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.28 -31.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.8 m-70 -116.95 61.22 2.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 1.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 65.0 Cg_endo -73.47 114.96 4.17 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.289 3.326 . . . . 1.0 109.63 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 54.68 58.41 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 1.0 110.274 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.49 30.06 1.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 1.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.82 -148.93 18.77 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.5 m120 -158.03 142.62 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 1.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.3 p -110.72 -2.8 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.641 HG12 ' CD2' ' A' ' 47' ' ' HIS . 98.0 t -114.08 -57.71 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.641 ' CD2' HG12 ' A' ' 46' ' ' VAL . 49.2 m170 -115.9 115.91 40.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -87.6 14.46 2.38 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.302 3.335 . . . . 1.0 109.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -122.73 -3.11 8.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 14.1 mmtt -124.94 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.5 p -99.08 -179.01 4.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 110.39 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD22 HMA3 ' A' ' 201' ' ' HEC . 88.9 mt -89.58 16.37 7.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 1.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.43 129.08 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 58' ' ' GLU . 15.0 ttp180 -52.38 -44.32 65.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 1.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.2 -38.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 -48.79 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.52 -18.16 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 1.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -78.16 -47.06 18.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 1.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.78 -53.23 26.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.6 m-80 -78.62 -32.48 47.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.531 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 88.15 80.71 1.26 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 1.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.508 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 5.8 mt -142.94 61.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.521 0.777 . . . . 1.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.531 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -120.19 57.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.438 ' HG1' ' CG ' ' A' ' 67' ' ' ASP . 20.0 p -151.31 158.87 44.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 1.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 37.9 t -69.61 -59.17 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ASP . 41.7 mtt-85 -44.29 -64.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' ARG . 2.0 m-20 -35.83 -37.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 68' ' ' VAL . 75.0 t -89.02 52.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -164.9 -41.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 1.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -75.07 -65.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -44.23 -55.43 4.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.839 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 73' ' ' ARG . 5.9 pt -42.2 -35.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 1.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -58.81 -64.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 1.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.77 74.7 75.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 64.1 Cg_endo -82.23 174.8 9.66 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.339 3.36 . . . . 1.0 109.535 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.91 -171.34 47.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 1.0 110.997 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.59 154.83 51.65 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.303 3.335 . . . . 1.0 109.61 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.99 -34.53 4.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 1.0 110.973 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.565 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.84 129.76 25.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.006 0.908 . . . . 1.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.7 Cg_exo -53.9 -147.95 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.301 3.334 . . . . 1.0 109.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.48 165.07 36.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -145.84 103.81 3.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.53 -173.77 49.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.542 1.151 . . . . 1.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -85.85 12.51 9.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 1.0 110.376 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.05 -42.9 25.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 tpp -101.68 -55.3 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 mt -119.25 116.64 33.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 1.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.663 ' HG2' ' OD2' ' A' ' 91' ' ' ASP . 57.9 Cg_endo -73.73 149.17 42.69 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.54 -41.43 60.61 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.296 3.331 . . . . 1.0 109.616 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.29 70.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.29 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.663 ' OD2' ' HG2' ' A' ' 88' ' ' PRO . 1.2 m-20 -85.57 -11.11 54.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 1.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.52 -38.4 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.48 -15.37 26.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.11 -29.6 23.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 30' ' ' LEU . 7.4 mm -72.63 -45.9 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 1.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -47.7 -25.73 3.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 1.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.1 mt-10 -67.55 -50.99 55.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.108 0.956 . . . . 1.0 110.346 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.481 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 59.1 t80 -47.49 -27.58 1.82 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.981 -1.008 . . . . 1.0 109.846 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.776 ' O ' HG12 ' A' ' 99' ' ' VAL . 69.8 t -97.75 35.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 1.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.701 ' O ' HG12 ' A' ' 100' ' ' VAL . 74.3 t -148.14 20.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.58 27.98 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 1.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 35.6 p -161.16 -43.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 1.0 110.053 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -155.28 77.8 4.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 111.035 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.448 -1.187 0 C-N-CA 124.34 3.36 . . . . 1.0 109.566 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.7 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.34 -88.65 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 1.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.65 -27.62 58.99 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -73.21 -44.42 35.2 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.18 -25.05 45.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 95' ' ' ILE . 36.7 mt -85.43 -45.63 11.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 2.7 t80 -70.42 -23.73 62.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -93.14 45.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -171.31 -39.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 1.0 110.384 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -102.49 -5.7 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.561 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -131.82 -47.15 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.0 108.314 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.95 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.78 -34.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 1.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.21 46.87 3.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 1.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.7 -31.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.4 m-70 -116.94 61.09 2.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 65.9 Cg_endo -73.28 109.07 2.76 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.28 3.32 . . . . 1.0 109.616 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' C ' ' N ' ' A' ' 43' ' ' GLY . 7.6 mm100 59.61 62.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 110.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.582 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 41.22 28.48 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 1.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -104.3 -155.75 23.56 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 7.1 m120 -153.82 143.14 21.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 1.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 38' ' ' CYS . 1.3 p -110.21 -4.27 15.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 1.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 47' ' ' HIS . 87.8 t -113.56 -57.52 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.591 ' CD2' HG12 ' A' ' 46' ' ' VAL . 46.8 m170 -116.3 112.19 41.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 1.0 109.622 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -85.86 16.29 2.01 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.373 3.382 . . . . 1.0 109.626 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.2 mm-40 -121.71 -4.09 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 1.0 110.271 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -124.02 83.98 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.2 p -94.89 177.31 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.582 HD12 ' HA2' ' A' ' 42' ' ' GLY . 94.0 mt -89.9 15.69 9.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 1.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.84 129.17 35.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -50.54 -47.57 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.37 -40.83 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 16.1 mmt85 -88.19 -45.99 9.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 1.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CG ' ' HB ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -57.23 -17.86 13.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 110.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -78.33 -46.96 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.51 -53.71 27.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 1.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.5 m-80 -78.32 -33.1 49.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.521 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 88.09 81.41 1.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 4.0 mt -142.13 57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.521 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -117.46 59.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 1.0 110.274 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 63' ' ' ARG . 25.5 p -153.69 151.33 29.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 1.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.47 -51.17 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -47.26 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 1.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 66' ' ' ARG . 29.7 m-20 -36.74 -40.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 68' ' ' VAL . 59.1 t -87.08 51.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.442 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.62 -42.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 1.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.75 -65.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 1.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -44.84 -55.93 4.96 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.855 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.513 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.1 pt -40.57 -36.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 1.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.438 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.2 tmt_? -61.25 -64.78 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 1.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -126.68 76.4 74.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.52 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 70.9 Cg_endo -84.76 175.15 7.06 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.283 3.322 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.52 -175.01 43.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 1.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.38 153.57 17.13 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 124.336 3.358 . . . . 1.0 109.603 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.34 -35.02 4.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.555 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -122.14 131.32 24.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 122.041 0.924 . . . . 1.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.555 ' O ' ' O ' ' A' ' 79' ' ' MET . 39.2 Cg_exo -54.48 -145.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.335 3.357 . . . . 1.0 109.561 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.66 169.47 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -153.85 104.75 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 1.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.49 -168.76 32.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 1.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.76 7.7 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 1.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.26 74.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 1.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.8 ttm -115.74 -53.81 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 mt -117.85 116.36 36.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 1.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.785 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 59.9 Cg_endo -73.44 149.39 44.53 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.301 3.334 . . . . 1.0 109.599 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.404 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 9.5 Cg_endo -51.71 -41.67 60.69 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.305 3.336 . . . . 1.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.91 71.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 1.0 109.316 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.785 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 35.3 m-20 -82.23 -11.89 58.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 1.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -82.21 -39.08 23.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.7 mt -60.13 -15.93 27.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.16 -29.81 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.123 . . . . 1.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 30' ' ' LEU . 11.7 mm -71.81 -44.69 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 1.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -48.06 -25.13 3.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 1.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -68.02 -52.43 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.1 0.952 . . . . 1.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 63.4 t80 -48.73 -26.93 2.58 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.803 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.727 ' O ' HG12 ' A' ' 99' ' ' VAL . 73.9 t -97.2 32.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.7 ' O ' HG12 ' A' ' 100' ' ' VAL . 72.7 t -148.68 21.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.71 33.66 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 1.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 p -165.32 -42.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 1.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -156.93 72.22 4.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.448 -1.187 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.676 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 1.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.94 -65.66 0.82 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 1.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.83 -28.63 53.1 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CD1' ' A' ' 98' ' ' TYR . . . -72.41 -46.63 32.32 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.0 -20.45 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 1.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.67 HD12 ' HD2' ' A' ' 94' ' ' LYS . 29.8 mt -88.3 -42.04 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CD2' ' CE2' ' A' ' 98' ' ' TYR . 2.0 t80 -69.63 -25.29 63.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.984 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -91.55 45.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -169.5 -40.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 1.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -103.06 -5.8 22.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.0 109.614 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -130.28 -46.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.984 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.67 -35.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 1.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.81 47.54 3.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 1.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.43 -31.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.9 m-70 -116.87 61.24 2.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.629 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 64.2 Cg_endo -73.53 113.96 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.318 3.346 . . . . 1.0 109.624 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 55.47 58.29 4.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 1.0 110.302 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.476 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 43.4 30.25 1.28 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 1.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.85 -151.87 21.32 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.0 m120 -157.24 144.18 18.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.777 . . . . 1.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.8 p -113.14 -4.9 13.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 1.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 47' ' ' HIS . 98.5 t -111.14 -57.11 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' A' ' 46' ' ' VAL . 48.8 m170 -116.41 115.95 39.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 1.0 109.565 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -87.76 14.03 2.47 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.362 3.374 . . . . 1.0 109.607 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -122.18 -3.87 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 110.315 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.4 mmtt -124.68 87.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -99.91 -179.57 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD12 ' HA2' ' A' ' 42' ' ' GLY . 88.8 mt -89.76 16.29 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 1.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.98 128.72 37.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.3 ttm180 -50.22 -50.0 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 1.0 110.358 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -40.0 -36.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -51.34 5.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 1.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.68 ' NH1' HG13 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -54.86 -18.41 4.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.1 pt-20 -79.1 -47.35 16.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 1.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -48.57 -52.38 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.8 m-80 -78.78 -27.68 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.47 80.94 0.82 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.121 . . . . 1.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.529 HD12 ' CGA' ' A' ' 201' ' ' HEC . 3.9 mt -138.1 55.42 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 0.803 . . . . 1.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -114.18 59.06 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.48 HG23 ' C ' ' A' ' 63' ' ' ARG . 30.8 p -155.22 146.02 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 1.0 110.42 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -60.17 -52.62 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 1.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 67' ' ' ASP . 58.2 mtt85 -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.1 m-20 -37.16 -42.41 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 64' ' ' THR . 30.7 t -85.62 52.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.81 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 1.0 109.312 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.54 -65.39 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 1.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -44.44 -55.81 4.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.886 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.534 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.5 pt -39.77 -36.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 1.0 109.294 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 1.4 ttt180 -58.35 -62.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 1.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.62 74.3 74.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 1.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.554 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 68.9 Cg_endo -81.99 175.4 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.325 3.35 . . . . 1.0 109.575 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.63 -171.07 47.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 1.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.85 155.74 52.86 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.326 3.35 . . . . 1.0 109.58 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.61 -34.16 4.91 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.21 129.57 25.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.14 0.971 . . . . 1.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.1 Cg_exo -53.79 -147.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.304 3.336 . . . . 1.0 109.623 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.67 161.49 42.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -142.11 101.97 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 1.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.92 -171.5 37.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 1.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.439 ' HG2' ' CD ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -76.65 1.62 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 1.0 110.282 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.15 -41.52 97.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.2 ttm -116.56 -54.24 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -117.76 116.55 36.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.797 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 61.2 Cg_endo -73.72 149.32 42.97 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.328 3.352 . . . . 1.0 109.631 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.439 ' CD ' ' HG2' ' A' ' 84' ' ' GLU . 9.9 Cg_endo -52.03 -41.7 62.8 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.343 3.362 . . . . 1.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.18 -25.09 68.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.797 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 48.9 m-20 -90.78 -8.3 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -87.81 -31.44 19.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.0 mt -62.8 -18.7 63.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.67 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -86.15 -19.82 29.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.49 HD11 HD12 ' A' ' 30' ' ' LEU . 12.7 mm -78.28 -49.97 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.444 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -46.21 -25.98 2.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 1.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -66.13 -48.83 69.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 122.103 0.954 . . . . 1.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.535 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 63.4 t80 -49.6 -27.89 5.08 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.851 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.781 ' O ' HG12 ' A' ' 99' ' ' VAL . 61.3 t -96.01 30.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.654 ' O ' HG12 ' A' ' 100' ' ' VAL . 60.6 t -137.18 12.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.07 49.15 2.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.77 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -167.92 75.01 0.91 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 110.996 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.269 3.313 . . . . 1.0 109.631 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.666 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.8 -78.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 1.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.45 -25.88 21.36 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 98' ' ' TYR . . . -70.48 -47.65 41.31 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.71 -27.49 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 1.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 14.2 mt -81.86 -40.39 22.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 1.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' ' CE1' ' A' ' 98' ' ' TYR . 2.1 t80 -69.96 -23.67 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.49 45.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 1.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.94 -39.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -103.4 -4.73 23.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 1.0 109.599 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -131.75 -47.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 1.0 108.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.95 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.94 -35.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 1.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.65 47.67 3.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.523 1.14 . . . . 1.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.24 -31.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.0 m-70 -116.96 60.79 2.48 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 1.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 63.1 Cg_endo -73.72 118.85 5.62 Favored 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.313 3.342 . . . . 1.0 109.642 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.8 55.95 8.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 43.91 31.54 2.0 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 1.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.48 -149.97 17.32 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 8.2 m120 -157.42 144.33 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 1.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 46.6 p -112.92 -4.11 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 1.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.627 HG12 ' CD2' ' A' ' 47' ' ' HIS . 87.9 t -111.12 -55.31 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.627 ' CD2' HG12 ' A' ' 46' ' ' VAL . 51.9 m170 -116.06 114.86 41.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.611 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -86.05 16.51 1.95 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.315 3.343 . . . . 1.0 109.6 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -130.11 4.24 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -130.17 91.74 3.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.118 . . . . 1.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 29.3 p -101.95 -175.27 2.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 1.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.526 HD22 HMA3 ' A' ' 201' ' ' HEC . 94.5 mt -93.48 19.53 8.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.59 129.48 38.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 1.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.7 OUTLIER -53.96 -41.16 67.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.77 -41.24 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 1.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HB2' HH11 ' A' ' 57' ' ' ARG . 32.7 mmt-85 -86.1 -44.43 12.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.56 ' NH2' ' CBA' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -58.55 -18.88 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -79.69 -47.52 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 1.0 110.259 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.4 -50.78 21.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 1.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -79.68 -29.98 40.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 1.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.74 73.63 1.27 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 1.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 62' ' ' ILE . 14.5 mt -135.7 57.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 1.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -113.2 58.3 0.66 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 1.0 110.304 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.441 ' HG1' ' CG ' ' A' ' 67' ' ' ASP . 24.9 p -152.66 155.05 36.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 1.0 110.427 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.0 t -66.99 -58.61 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 1.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 67' ' ' ASP . 77.1 mtt85 -43.4 -62.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 66' ' ' ARG . 0.9 OUTLIER -36.41 -42.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 68' ' ' VAL . 60.7 t -83.99 50.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -162.48 -42.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -75.09 -65.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -56.44 4.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.44 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.1 pt -40.57 -36.61 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 2.2 tmt_? -55.45 -68.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 1.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -124.37 75.96 61.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 66.9 Cg_endo -81.46 174.78 10.22 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.31 3.34 . . . . 1.0 109.605 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.24 -171.33 48.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.48 1.112 . . . . 1.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.73 154.6 54.06 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.316 3.344 . . . . 1.0 109.594 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.35 -34.75 4.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 1.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.57 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.76 130.15 24.98 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 122.087 0.946 . . . . 1.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.6 Cg_exo -53.98 -146.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.288 3.325 . . . . 1.0 109.626 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.4 161.42 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 109.307 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -141.24 107.26 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 1.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . -96.56 -168.36 33.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.451 1.094 . . . . 1.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.75 11.71 8.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.761 . . . . 1.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.89 -40.93 60.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.7 ttm -113.29 -54.34 2.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' GLY . 2.6 mt -116.98 117.67 36.92 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.727 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.0 Cg_endo -73.21 137.17 25.64 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.319 3.346 . . . . 1.0 109.603 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 73.5 Cg_exo -40.92 -44.13 4.83 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 124.352 3.368 . . . . 1.0 109.596 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.61 88.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.286 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.727 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 29.1 m-20 -71.55 -9.78 58.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -85.75 -32.75 21.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 1.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.46 -18.22 57.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -26.63 25.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 9.4 mm -70.34 -49.47 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -45.27 -28.24 2.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 1.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.6 mt-10 -66.25 -50.17 64.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.149 0.976 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 71.6 t80 -47.62 -28.25 2.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.822 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.783 ' O ' HG12 ' A' ' 99' ' ' VAL . 59.0 t -97.25 34.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.687 ' O ' HG12 ' A' ' 100' ' ' VAL . 70.8 t -147.2 19.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.59 20.95 6.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 1.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.7 p -153.73 -45.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -151.84 81.53 5.78 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.307 3.338 . . . . 1.0 109.588 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.655 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.98 -70.87 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.77 -27.6 64.4 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.47 -42.62 88.83 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.68 -27.93 43.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 1.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 95' ' ' ILE . 13.1 mt -82.94 -40.48 20.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.8 t80 -73.03 -22.98 60.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 1.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.97 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -94.01 45.59 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.51 -39.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.0 110.369 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.8 -5.88 23.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.7 m -130.78 -46.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.157 . . . . 1.0 108.269 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.97 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.83 -34.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.32 46.95 3.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.62 -31.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.336 -0.987 . . . . 1.0 108.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.0 m-70 -117.43 60.43 2.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.59 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 62.1 Cg_endo -73.86 126.19 10.51 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.341 3.361 . . . . 1.0 109.605 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 48.7 56.09 8.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 1.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.96 24.42 1.36 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 1.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.86 -153.02 20.7 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.989 -0.844 . . . . 1.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -162.25 151.8 16.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 1.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.6 p -116.77 -0.25 12.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 1.0 110.439 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' CD2' ' A' ' 47' ' ' HIS . 86.6 t -107.89 -56.01 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.552 ' CE1' ' O2D' ' A' ' 201' ' ' HEC . 52.6 m170 -116.59 112.96 40.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 1.0 109.587 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -84.29 15.13 2.24 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.352 3.368 . . . . 1.0 109.609 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.82 4.78 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 1.0 110.268 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -129.61 87.75 2.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.5 p -101.17 -172.07 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 1.0 110.441 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.3 mt -97.32 21.49 9.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.89 136.62 33.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 2.7 ttm-85 -54.66 -40.88 69.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.5 -51.98 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 1.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -36.49 28.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 1.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.645 HH11 ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -63.12 -15.53 57.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 110.267 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -81.01 -46.41 15.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.0 -54.47 19.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.52 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.0 OUTLIER -77.75 -32.12 52.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.771 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 85.76 82.43 1.1 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.56 1.163 . . . . 1.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.555 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 3.9 mt -140.86 59.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 0.763 . . . . 1.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.771 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -114.36 58.6 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 1.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 63' ' ' ARG . 42.0 p -155.58 146.14 22.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG13 ' HA3' ' A' ' 96' ' ' GLY . 14.5 t -63.82 -52.84 51.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 1.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -45.93 -65.21 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.5 m-20 -35.99 -35.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 1.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 68' ' ' VAL . 97.3 t -90.74 52.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 1.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -170.04 -41.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.91 -65.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -44.51 -54.6 5.86 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.826 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG12 ' CA ' ' A' ' 69' ' ' ALA . 4.5 pt -40.45 -36.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.1 ttt180 -58.3 -62.71 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.145 . . . . 1.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.14 73.37 79.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.563 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 65.0 Cg_endo -81.61 175.28 9.63 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.583 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.69 -175.74 47.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 1.0 110.971 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -54.74 154.94 19.04 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.339 3.359 . . . . 1.0 109.569 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.68 -35.01 4.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 1.0 110.98 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.561 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.1 ttp -121.75 129.72 25.06 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 122.053 0.93 . . . . 1.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.563 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 41.6 Cg_exo -54.09 -146.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 1.0 109.6 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.47 160.28 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 109.343 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -140.39 101.87 4.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -82.11 -175.54 50.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 1.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.66 8.38 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 110.253 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.8 -44.36 61.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 1.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.0 tpp -101.88 -55.87 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 1.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -118.35 117.68 34.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.789 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.5 Cg_endo -72.21 139.13 31.76 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.297 3.331 . . . . 1.0 109.601 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.61 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.3 Cg_exo -40.58 -46.32 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 1.0 109.587 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.8 -42.63 84.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.789 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.2 m-20 -71.74 -7.91 51.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -87.63 -34.93 18.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.42 -14.64 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -87.76 -17.42 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.413 HD11 HD12 ' A' ' 30' ' ' LEU . 5.9 mm -81.62 -37.53 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -56.47 -19.81 27.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 1.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.7 mt-10 -74.77 -53.75 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.103 0.954 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' HE1' ' CD1' ' A' ' 31' ' ' PHE . 69.8 t80 -48.57 -27.95 3.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.877 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.746 ' O ' HG12 ' A' ' 99' ' ' VAL . 75.9 t -95.06 31.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.673 ' O ' HG12 ' A' ' 100' ' ' VAL . 78.3 t -142.76 15.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 1.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.95 51.52 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 1.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.05 -34.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -162.82 78.83 1.8 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 1.0 111.049 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 1.0 109.599 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.629 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.15 -86.4 1.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 1.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.52 -27.2 8.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.7 -41.4 89.3 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -55.5 -29.06 58.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 1.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.676 HD12 ' HD2' ' A' ' 94' ' ' LYS . 14.7 mt -81.08 -40.51 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 2.8 t80 -75.16 -17.22 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 1.0 111.035 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.937 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -98.14 43.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -172.72 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -102.02 -5.23 24.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 36' ' ' ALA . 4.4 m -132.88 -47.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 1.0 108.283 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.937 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.78 -33.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.65 47.19 3.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 1.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.13 -32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.29 -1.004 . . . . 1.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.8 m-70 -117.47 60.95 3.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.641 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 65.7 Cg_endo -73.35 119.48 6.01 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.298 3.332 . . . . 1.0 109.6 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 43' ' ' GLY . 27.4 mt-30 53.11 59.71 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 1.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.504 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 42.54 26.43 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 1.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -105.68 -147.52 15.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -170.63 141.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.402 HG23 ' HG3' ' A' ' 40' ' ' PRO . 25.1 p -108.79 3.63 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 1.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.523 HG12 ' CD2' ' A' ' 47' ' ' HIS . 58.2 t -109.43 -58.04 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 1.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.523 ' CD2' HG12 ' A' ' 46' ' ' VAL . 53.1 m170 -116.94 119.21 35.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 1.0 109.575 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -87.71 11.98 3.02 Favored 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.326 3.351 . . . . 1.0 109.566 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -130.43 4.74 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 1.0 110.322 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.31 70.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 1.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' OG1' ' NH2' ' A' ' 56' ' ' ARG . 34.1 p -86.92 -170.76 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD22 HH11 ' A' ' 57' ' ' ARG . 83.6 mt -96.38 23.04 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 1.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.12 131.19 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 58' ' ' GLU . 5.1 ttt180 -50.39 -49.43 54.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 1.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.22 -36.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.407 ' NH2' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -89.35 -50.02 6.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 1.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.836 ' HE ' HMA3 ' A' ' 201' ' ' HEC . 0.0 OUTLIER -55.1 -18.97 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 1.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.6 pt-20 -78.46 -47.17 18.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 1.0 110.332 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.01 -50.86 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 1.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.8 m-80 -77.46 -27.7 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.28 72.23 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 1.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 62' ' ' ILE . 5.2 mt -133.92 60.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 1.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -114.9 55.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 1.0 110.268 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 63' ' ' ARG . 62.1 p -155.61 151.69 27.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 1.0 110.469 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.66 -58.0 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.362 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' ASP . 75.6 mtt85 -44.31 -62.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.2 m-20 -36.58 -41.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 1.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 68' ' ' VAL . 43.6 t -86.46 52.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.437 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -166.51 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.36 -65.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -44.39 -55.68 4.81 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.857 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.55 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.8 pt -40.57 -36.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -56.92 -64.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 1.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.14 75.32 72.5 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.56 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 73.9 Cg_endo -82.89 175.65 8.42 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.304 3.336 . . . . 1.0 109.621 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.27 -176.0 47.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 1.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -54.84 156.15 16.06 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.274 3.316 . . . . 1.0 109.587 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.28 -34.44 4.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.513 1.133 . . . . 1.0 111.02 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.573 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -121.82 129.88 24.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.14 0.971 . . . . 1.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' A' ' 79' ' ' MET . 43.9 Cg_exo -53.96 -145.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.299 3.333 . . . . 1.0 109.603 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.89 161.76 41.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 1.0 109.307 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -142.08 98.2 3.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 87' ' ' ILE . . . -88.75 -169.56 44.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 1.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.19 8.37 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 1.0 110.287 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.7 -40.39 66.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 1.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.61 -54.31 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 83' ' ' GLY . 3.2 mt -119.6 117.24 32.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.8 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 60.1 Cg_endo -73.34 149.23 44.77 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.312 3.341 . . . . 1.0 109.607 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.72 -41.72 60.49 Favored 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 124.307 3.338 . . . . 1.0 109.569 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.39 67.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.337 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.8 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.1 m-20 -91.79 -7.59 49.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.55 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -88.89 -31.05 18.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 1.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.18 -18.12 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.676 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -85.42 -17.44 36.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.6 mm -81.16 -34.15 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -58.95 -15.97 30.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 1.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' VAL . 7.5 mt-10 -74.31 -52.17 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.067 0.937 . . . . 1.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 23.4 t80 -49.24 -27.63 3.89 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.857 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.777 ' O ' HG12 ' A' ' 99' ' ' VAL . 53.8 t -95.99 31.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.688 ' O ' HG12 ' A' ' 100' ' ' VAL . 69.5 t -145.85 18.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.62 39.18 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.1 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.408 ' N ' ' HD3' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -158.69 70.47 3.68 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 1.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 103' ' ' PHE . 61.1 Cg_exo . . . . . 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.596 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.836 HMA3 ' HE ' ' A' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.14 -67.69 1.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.545 1.153 . . . . 1.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.96 -28.08 57.59 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.85 -45.58 50.91 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.04 -25.78 13.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 1.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 16.8 mt -82.82 -42.2 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.525 ' C ' ' CD2' ' A' ' 31' ' ' PHE . 1.8 t80 -70.62 -21.8 62.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 1.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.944 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -93.8 44.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 1.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -171.65 -39.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -102.49 -5.81 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.651 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 4.0 m -131.64 -47.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 1.0 108.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.944 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.82 -34.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.71 46.84 3.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.471 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.64 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 82.7 m-70 -117.36 60.94 2.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.0 109.593 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 64.0 Cg_endo -73.56 129.41 13.67 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.313 3.342 . . . . 1.0 109.609 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 46.63 49.33 13.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.41 18.78 7.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 1.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.81 -154.38 27.85 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -161.02 140.41 10.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 40' ' ' PRO . 20.3 p -106.31 2.75 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 47' ' ' HIS . 60.0 t -110.71 -59.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' CD2' HG12 ' A' ' 46' ' ' VAL . 47.8 m170 -117.2 116.46 37.51 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -88.13 12.08 2.94 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.331 3.354 . . . . 1.0 109.554 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.55 -2.25 8.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 1.0 110.327 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -128.5 89.89 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.9 p -101.66 -167.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 1.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 88.0 mt -96.81 21.09 10.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 1.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.72 132.05 35.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 1.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HA ' ' HB2' ' A' ' 57' ' ' ARG . 9.9 ttt180 -53.6 -32.96 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.15 -43.75 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.83 -35.92 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH2' ' O ' ' A' ' 52' ' ' LEU . 3.3 mmm-85 -66.31 -8.22 23.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 1.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.3 pt-20 -85.07 -46.94 10.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 1.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.513 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -55.23 -53.44 56.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.6 m-80 -80.06 -34.39 38.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 1.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 57' ' ' ARG . . . 86.19 81.34 1.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.093 . . . . 1.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.472 HD12 ' CGA' ' A' ' 201' ' ' HEC . 4.4 mt -139.82 59.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 1.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.65 57.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 1.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.479 HG23 ' C ' ' A' ' 63' ' ' ARG . 32.9 p -155.31 149.53 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.344 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.73 -55.45 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' ALA . 26.7 mtt-85 -46.65 -66.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 1.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ARG . 6.1 m-20 -37.01 -37.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 1.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 68' ' ' VAL . 90.3 t -86.54 49.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 1.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -162.13 -43.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -74.93 -64.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -45.5 -55.95 5.63 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.843 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.48 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.4 pt -41.14 -35.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 1.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -58.2 -64.86 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -125.6 73.38 68.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 1.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 74.1 Cg_endo -80.78 174.88 10.57 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.28 3.32 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.96 -172.04 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 1.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -61.93 155.27 56.11 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.338 3.358 . . . . 1.0 109.588 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.38 -33.9 5.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 1.0 110.996 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.579 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -119.93 129.84 25.15 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 122.079 0.943 . . . . 1.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' O ' ' O ' ' A' ' 79' ' ' MET . 44.5 Cg_exo -53.71 -145.5 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.352 3.368 . . . . 1.0 109.57 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.07 158.89 38.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -142.61 100.7 3.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 111.045 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.78 -169.45 35.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 1.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 -0.03 16.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 1.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.75 98.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 1.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.1 ttm -117.3 -55.01 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 1.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -117.37 116.98 36.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.797 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 60.3 Cg_endo -73.28 148.69 44.14 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.329 3.353 . . . . 1.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.35 -40.52 61.77 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.328 3.352 . . . . 1.0 109.619 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.97 -23.26 67.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.797 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.1 m-20 -92.71 -7.81 45.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.48 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -90.42 -25.99 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.11 -19.86 66.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -84.17 -22.32 31.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 1.0 109.329 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 6.1 mm -75.48 -42.78 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -52.55 -25.35 20.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 1.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.8 mt-10 -70.5 -52.83 19.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 122.108 0.956 . . . . 1.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 83.3 t80 -48.35 -27.83 2.8 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.745 ' O ' HG12 ' A' ' 99' ' ' VAL . 73.7 t -96.69 32.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.644 ' O ' HG12 ' A' ' 100' ' ' VAL . 76.6 t -139.14 13.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 1.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.42 57.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 1.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.72 -33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 1.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -170.28 75.52 0.62 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 1.0 111.027 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 N--CA 1.447 -1.214 0 C-N-CA 124.265 3.31 . . . . 1.0 109.613 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.633 HBB3 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.27 -83.03 0.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 1.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.64 -26.97 8.22 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.39 -43.12 79.91 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.82 -26.68 47.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 1.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 47.1 mt -85.22 -44.26 13.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 1.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 2.1 t80 -70.54 -18.99 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.934 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -95.33 43.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 1.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -171.26 -39.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 1.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -102.4 -1.56 30.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.654 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -136.69 -47.49 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 1.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.33 -35.67 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 1.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.24 46.85 3.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.465 1.103 . . . . 1.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 169.05 -32.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.1 m-70 -117.03 61.09 2.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 109.611 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 76.7 Cg_endo -72.7 114.94 4.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.282 3.321 . . . . 1.0 109.55 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 54.29 59.91 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.325 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.536 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 45.58 26.73 1.81 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 1.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.428 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -105.93 -159.12 22.49 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 3.6 m120 -149.98 143.87 25.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 1.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.0 p -108.92 -1.65 18.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 1.0 110.38 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 47' ' ' HIS . 99.0 t -113.53 -58.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 1.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.591 ' CD2' HG12 ' A' ' 46' ' ' VAL . 42.5 m170 -116.16 110.97 42.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 1.0 109.589 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -83.82 17.02 1.77 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.359 3.373 . . . . 1.0 109.587 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.68 3.0 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 1.0 110.267 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.3 mmtp -130.07 70.39 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.7 p -82.41 -175.38 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD22 HMA3 ' A' ' 201' ' ' HEC . 91.1 mt -92.95 21.92 5.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.05 128.8 36.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 1.0 109.254 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' GLU . 10.6 ttt180 -48.91 -53.01 21.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 1.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.02 -30.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -93.66 -53.7 3.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 1.0 110.327 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -16.06 5.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 1.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.537 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.0 pt-20 -81.74 -49.05 10.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.3 -46.85 25.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 1.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.494 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.7 m-80 -79.33 -24.71 42.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.74 70.07 1.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 1.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 62' ' ' ILE . 13.7 mt -135.03 59.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.76 . . . . 1.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' C ' HG23 ' A' ' 64' ' ' THR . 0.2 OUTLIER -115.46 58.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.461 HG23 ' C ' ' A' ' 63' ' ' ARG . 25.5 p -154.47 146.79 23.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.4 -50.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 67' ' ' ASP . 55.2 mtt85 -48.36 -66.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 1.0 110.273 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 66' ' ' ARG . 9.8 m-20 -37.03 -40.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 t -89.0 53.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -172.51 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -80.97 -65.56 1.0 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -43.63 -52.44 6.37 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.805 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.43 HG12 ' CA ' ' A' ' 69' ' ' ALA . 3.7 pt -40.47 -36.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.688 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -52.91 -66.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 110.267 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -124.69 78.89 63.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.652 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 60.5 Cg_endo -85.21 175.95 6.13 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.285 3.323 . . . . 1.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.36 -169.71 45.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.532 1.145 . . . . 1.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.39 154.89 55.63 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.246 3.297 . . . . 1.0 109.634 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.31 -34.69 4.67 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.103 . . . . 1.0 111.055 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.583 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -121.35 129.57 25.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.052 0.929 . . . . 1.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.652 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 44.8 Cg_exo -53.41 -146.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.329 3.353 . . . . 1.0 109.619 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.21 162.53 41.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -143.18 107.05 4.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 1.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.71 -169.22 32.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 1.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.28 7.95 12.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 1.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.51 -40.41 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.9 ttm -115.34 -53.31 2.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mt -116.87 116.95 37.85 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 55.8 Cg_endo -72.83 140.24 31.72 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.338 3.358 . . . . 1.0 109.552 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.688 ' HG3' ' NH2' ' A' ' 73' ' ' ARG . 72.2 Cg_exo -41.44 -45.57 5.99 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.312 3.341 . . . . 1.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.19 -42.14 80.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.582 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 11.1 m-20 -70.22 -11.1 60.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -80.96 -38.05 28.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.04 -12.91 29.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 1.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -32.71 18.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 1.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 12.4 mm -69.07 -48.35 69.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 1.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.76 -27.2 1.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.7 mt-10 -65.36 -49.83 67.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 122.117 0.96 . . . . 1.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.53 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 53.5 t80 -48.11 -27.97 2.64 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.816 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 99' ' ' VAL . 72.8 t -97.24 34.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 1.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.696 ' O ' HG12 ' A' ' 100' ' ' VAL . 70.3 t -144.07 17.6 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.83 35.77 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 41.4 p -170.54 -40.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -159.36 75.07 3.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo . . . . . 0 N--CA 1.447 -1.244 0 C-N-CA 124.31 3.34 . . . . 1.0 109.616 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.699 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.8 -79.83 1.38 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.475 1.11 . . . . 1.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.15 -26.86 13.37 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.015 -0.834 . . . . 1.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.09 -45.53 55.9 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -53.76 -21.84 8.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.754 . . . . 1.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' A' ' 94' ' ' LYS . 27.8 mt -89.31 -43.41 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.533 ' CD2' ' CE1' ' A' ' 98' ' ' TYR . 1.9 t80 -71.01 -20.47 62.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.951 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -94.59 44.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.84 -39.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 110.365 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -102.28 -5.45 24.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 1.0 109.621 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.5 m -132.05 -46.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 1.0 108.343 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.951 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.26 -36.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.46 47.94 3.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 1.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.445 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 168.37 -31.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.2 m-70 -116.99 61.37 2.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 1.0 109.594 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 67.9 Cg_endo -72.89 124.81 9.93 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.305 3.337 . . . . 1.0 109.6 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 40' ' ' PRO . 8.9 pt20 46.29 47.94 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.16 26.38 49.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 1.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' PRO . . . -101.88 -157.96 26.47 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 6.4 m120 -150.24 143.44 24.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.2 p -108.71 -5.54 16.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 47' ' ' HIS . 98.4 t -111.89 -57.02 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CD2' HG12 ' A' ' 46' ' ' VAL . 41.6 m170 -116.0 108.34 46.49 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 1.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -81.88 16.34 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.292 3.328 . . . . 1.0 109.638 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -128.97 3.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 110.324 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.5 mttt -126.68 74.12 1.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 p -85.15 -177.73 6.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD22 HMA3 ' A' ' 201' ' ' HEC . 95.0 mt -91.16 17.42 8.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 1.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.52 130.03 41.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 1.0 109.233 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' NH1' ' OE1' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -49.18 -52.95 23.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.59 -31.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 1.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.51 -52.02 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' CD1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -57.2 -15.78 6.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 110.334 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 4.3 pt-20 -83.44 -49.09 9.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.548 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.5 -41.76 21.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 1.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 60' ' ' ASN . 1.8 m-80 -78.55 -27.22 45.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' GLU . . . 89.18 54.5 2.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.141 . . . . 1.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.72 ' O ' HG22 ' A' ' 62' ' ' ILE . 12.1 mt -121.65 62.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.44 0.729 . . . . 1.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -112.24 55.62 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 1.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 63' ' ' ARG . 1.8 p -158.97 168.58 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 110.35 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.8 t -81.57 -54.53 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 67' ' ' ASP . 47.6 mtt-85 -42.64 -63.99 0.69 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 66' ' ' ARG . 7.4 m-20 -34.9 -42.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 1.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.2 t -83.99 50.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 1.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -164.11 -42.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 1.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.27 -65.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -44.82 -55.9 4.98 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.823 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG12 ' CA ' ' A' ' 69' ' ' ALA . 5.7 pt -40.28 -36.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.529 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.6 ttt180 -57.15 -65.84 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 1.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.51 74.32 68.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.532 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 70.4 Cg_endo -81.18 174.98 10.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.314 3.343 . . . . 1.0 109.628 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.3 -170.83 47.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 1.0 111.013 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.95 155.23 56.46 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.255 3.304 . . . . 1.0 109.619 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.52 -34.26 4.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.421 1.075 . . . . 1.0 111.022 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.576 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -120.32 129.91 25.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 122.063 0.935 . . . . 1.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.9 Cg_exo -53.82 -145.27 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.318 3.345 . . . . 1.0 109.649 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.68 159.89 39.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 1.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -142.09 103.27 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 1.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -95.57 -168.92 35.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 1.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -79.17 4.49 14.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.84 85.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 ttm -114.46 -53.97 2.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 1.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 mt -116.51 117.65 37.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 1.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.816 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.9 Cg_endo -72.54 138.56 29.8 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.29 3.327 . . . . 1.0 109.584 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.605 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 73.0 Cg_exo -41.3 -44.96 5.74 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.322 3.348 . . . . 1.0 109.544 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.69 -41.95 87.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.307 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.816 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.5 m-20 -74.1 -5.11 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -88.98 -33.31 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 1.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.62 -15.63 58.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 1.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.616 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -87.24 -18.58 29.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.0 mm -78.94 -47.59 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.43 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -47.85 -25.33 3.56 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.7 mt-10 -67.2 -49.83 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.094 0.95 . . . . 1.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' CE1' ' CD2' ' A' ' 31' ' ' PHE . 56.2 t80 -49.71 -28.22 5.77 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 99' ' ' VAL . 66.4 t -93.92 29.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 100' ' ' VAL . 55.9 t -138.82 13.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.33 44.87 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.19 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 1.0 109.946 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CD1' ' NH1' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -164.06 78.68 1.53 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 1.0 110.97 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 N--CA 1.447 -1.263 0 C-N-CA 124.318 3.345 . . . . 1.0 109.602 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.678 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.57 -74.79 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.3 -30.22 2.79 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.016 -0.833 . . . . 1.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.445 ' CA ' ' CD1' ' A' ' 98' ' ' TYR . . . -72.42 -50.66 15.05 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.017 -0.833 . . . . 1.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -49.75 -22.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 1.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 HD12 HD11 ' A' ' 95' ' ' ILE . 30.8 mt -84.38 -42.1 16.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 1.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.541 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.3 t80 -69.63 -23.01 63.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.962 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.73 45.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -170.5 -39.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 1.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -102.72 -7.29 21.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 1.0 109.604 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.9 m -128.86 -46.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 1.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.962 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.94 -33.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.97 47.0 3.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 1.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.96 -31.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.5 m-70 -117.24 60.85 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.568 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 63.5 Cg_endo -73.79 131.37 15.73 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.274 3.316 . . . . 1.0 109.631 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 46.07 48.31 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 1.0 110.307 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.92 18.97 6.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.9 -147.83 22.54 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -166.64 153.45 9.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 1.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -117.39 0.26 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.581 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 67.8 t -107.63 -56.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CD2' HG12 ' A' ' 46' ' ' VAL . 55.9 m170 -116.77 115.14 39.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.582 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -84.96 14.48 2.47 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.347 3.365 . . . . 1.0 109.595 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -132.19 5.28 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 110.285 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' ' CGD' ' A' ' 201' ' ' HEC . 18.1 mmtt -129.39 90.32 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.1 p -102.84 -170.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 1.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.1 mt -97.16 21.44 9.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 1.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.95 134.77 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 1.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -54.16 -43.75 70.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.9 -41.85 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -47.31 9.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.512 HH12 HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -55.62 -18.77 8.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 1.0 110.32 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.9 pt-20 -77.79 -46.8 20.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.77 -51.74 37.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -78.59 -33.95 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.42 73.75 1.27 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 1.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 62' ' ' ILE . 9.4 mt -136.2 55.1 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 1.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.48 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.68 56.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 1.0 110.315 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.48 HG23 ' C ' ' A' ' 63' ' ' ARG . 35.7 p -154.85 153.84 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.378 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -65.78 -59.93 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 67' ' ' ASP . 4.9 mmt-85 -43.32 -62.11 1.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 1.0 110.347 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.2 m-20 -36.13 -38.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 1.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 68' ' ' VAL . 76.3 t -86.64 50.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 1.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -163.55 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -74.67 -65.0 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.3 m-85 -46.58 -56.32 6.23 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.019 -0.992 . . . . 1.0 109.818 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.464 HG12 ' CA ' ' A' ' 69' ' ' ALA . 6.8 pt -40.48 -36.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 1.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -57.52 -66.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 1.0 110.299 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -124.69 73.94 63.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 1.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.5 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 73.0 Cg_endo -80.51 175.11 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 1.0 109.623 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.06 -171.48 47.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 1.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -61.64 153.96 63.43 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.319 3.346 . . . . 1.0 109.63 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.86 -34.45 5.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 1.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.57 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.0 ttp -119.88 130.16 24.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.097 0.951 . . . . 1.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 79' ' ' MET . 41.5 Cg_exo -54.1 -144.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 124.361 3.374 . . . . 1.0 109.625 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.03 158.46 39.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 1.0 109.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -142.06 104.9 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.5 -168.89 31.4 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.66 2.64 16.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.51 96.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 1.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.2 ttm -115.37 -53.88 2.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.71 117.36 40.15 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 1.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.785 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 61.6 Cg_endo -74.2 148.53 39.34 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.284 3.323 . . . . 1.0 109.6 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -51.95 -41.25 64.69 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.303 3.336 . . . . 1.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.19 -25.54 68.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 1.0 109.271 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.785 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 4.3 m-20 -89.93 -11.16 42.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.91 -30.51 24.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 1.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.58 -19.95 64.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 1.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -24.59 25.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.49 HD11 HD12 ' A' ' 30' ' ' LEU . 9.1 mm -73.06 -43.73 57.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 1.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -53.63 -28.03 36.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 1.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 100' ' ' VAL . 11.4 mt-10 -68.23 -51.73 42.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.037 0.923 . . . . 1.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CD1' ' CA ' ' A' ' 28' ' ' GLY . 67.3 t80 -48.01 -27.36 2.2 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.811 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 99' ' ' VAL . 78.5 t -98.09 33.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.696 ' O ' HG12 ' A' ' 100' ' ' VAL . 71.6 t -147.15 20.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.77 28.22 5.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.2 p -162.89 -43.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -153.57 72.53 6.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.338 3.359 . . . . 1.0 109.56 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.642 HBB3 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.08 -75.77 0.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 1.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.18 -25.45 64.57 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.23 -45.3 71.4 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -52.69 -25.28 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 1.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.442 HD12 HD11 ' A' ' 95' ' ' ILE . 19.3 mt -85.2 -40.86 16.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 1.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 1.8 t80 -74.32 -18.81 60.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 1.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.952 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.52 44.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -172.0 -39.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 1.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -102.21 -5.31 24.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.0 109.582 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 37' ' ' GLY . 4.2 m -132.4 -47.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.952 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.25 -32.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.51 46.47 3.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 1.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.85 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.265 -1.013 . . . . 1.0 108.265 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.417 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.3 m-70 -117.22 60.72 2.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.58 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 62.5 Cg_endo -73.83 129.05 13.01 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.292 3.328 . . . . 1.0 109.616 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 46.23 50.43 12.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 1.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 53.23 18.76 7.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 1.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.03 -159.92 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -155.36 151.54 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 1.0 109.329 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.3 p -115.06 1.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 1.0 110.435 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.555 ' HB ' HMD3 ' A' ' 201' ' ' HEC . 77.2 t -109.76 -56.72 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 1.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.554 ' CE1' ' O1D' ' A' ' 201' ' ' HEC . 47.5 m170 -116.7 116.78 38.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.589 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.54 13.16 2.72 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 1.0 109.613 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -127.84 1.7 6.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 110.335 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -128.63 91.62 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -104.51 -173.13 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 1.0 110.43 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 87.3 mt -94.15 19.58 9.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 1.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.79 135.2 34.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' GLU . 13.9 ttm180 -52.54 -38.1 59.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 1.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.35 -53.78 12.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -27.66 33.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.657 ' NH1' HG12 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -71.25 -14.92 62.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 110.31 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.0 pt-20 -82.65 -47.07 12.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 1.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -49.43 -51.14 37.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.528 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.5 m-80 -78.07 -29.62 49.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.34 70.49 1.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.533 1.146 . . . . 1.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.723 ' O ' HG22 ' A' ' 62' ' ' ILE . 18.2 mt -130.9 55.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 1.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 64' ' ' THR . 3.5 mtm180 -108.6 58.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 63' ' ' ARG . 4.2 p -158.66 160.48 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 1.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 t -75.92 -52.42 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 1.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -42.97 -66.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.5 m-20 -35.47 -44.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 68' ' ' VAL . 55.6 t -83.16 51.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 66' ' ' ARG . . . -166.56 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 1.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.65 -65.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.01 -55.11 3.95 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.834 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.57 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.1 pt -40.69 -36.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 72' ' ' ILE . 5.9 ttt180 -60.59 -62.6 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -128.26 72.83 79.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.553 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 68.8 Cg_endo -81.56 176.1 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.317 3.345 . . . . 1.0 109.616 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -90.68 -175.12 44.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -54.15 154.44 18.27 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.371 3.381 . . . . 1.0 109.594 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.65 -34.87 4.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 1.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.556 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -121.91 129.84 24.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.102 0.953 . . . . 1.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 79' ' ' MET . 39.7 Cg_exo -54.43 -145.12 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.362 3.374 . . . . 1.0 109.556 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.26 164.28 37.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.281 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -147.86 103.75 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.98 -169.51 32.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -76.84 2.13 15.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 1.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.58 -41.5 98.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 34.8 ttm -117.57 -54.46 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 1.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.2 mt -117.15 117.01 37.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.776 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.7 Cg_endo -72.89 149.66 47.92 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.315 3.344 . . . . 1.0 109.631 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.44 -41.58 59.18 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.317 3.345 . . . . 1.0 109.578 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.41 -28.13 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.293 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.776 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.2 m-20 -86.0 -10.28 55.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -86.04 -35.21 20.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.3 mt -62.14 -16.22 51.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -87.87 -19.66 27.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.442 HD11 HD12 ' A' ' 30' ' ' LEU . 6.0 mm -79.88 -40.79 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 1.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -53.3 -22.44 14.97 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 1.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.3 mt-10 -71.24 -53.73 13.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.121 0.962 . . . . 1.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -48.02 -26.88 1.96 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.836 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.737 ' O ' HG12 ' A' ' 99' ' ' VAL . 73.9 t -96.87 32.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 1.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.685 ' O ' HG12 ' A' ' 100' ' ' VAL . 72.3 t -145.66 18.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 1.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.51 46.16 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.87 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -161.63 77.71 2.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 111.006 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.344 3.363 . . . . 1.0 109.596 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.641 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.287 -0.635 . . . . 1.0 109.287 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.63 -72.88 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.456 1.098 . . . . 1.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.51 -28.31 64.8 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.29 -39.78 92.0 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -59.26 -27.92 66.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.0 110.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 95' ' ' ILE . 42.5 mt -84.97 -45.56 12.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 2.5 t80 -68.0 -29.5 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.979 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -89.53 46.34 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 m -169.59 -40.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -103.26 -6.96 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -128.8 -46.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 108.34 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.979 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.12 -34.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 1.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.14 46.76 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 1.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.86 -31.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -116.9 61.52 2.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 1.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.502 ' O ' ' CG ' ' A' ' 41' ' ' GLN . 93.5 Cg_endo -70.13 122.91 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.298 3.332 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 40' ' ' PRO . 14.4 pt20 46.36 49.63 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 56.82 24.82 50.61 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.436 1.085 . . . . 1.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -101.37 -157.86 26.99 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 4.5 m120 -150.59 143.22 24.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 1.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.9 p -108.19 -2.78 19.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 1.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.616 HG12 ' CD2' ' A' ' 47' ' ' HIS . 98.7 t -113.71 -58.14 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 1.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.616 ' CD2' HG12 ' A' ' 46' ' ' VAL . 42.5 m170 -116.03 109.61 44.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.577 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.27 15.88 2.0 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 1.0 109.609 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.65 -0.6 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.291 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 10.9 mmtt -126.8 74.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 47.2 p -88.26 -177.63 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD23 HBA1 ' A' ' 201' ' ' HEC . 96.4 mt -92.64 21.74 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.01 130.77 35.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' GLU . 4.0 ttp180 -51.13 -50.92 57.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 1.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -39.83 -35.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 1.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.46 -52.02 5.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 1.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -54.42 -18.38 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -77.96 -40.9 37.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 1.0 110.27 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -56.6 -58.43 8.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 1.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.636 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.9 OUTLIER -76.42 -28.85 56.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 1.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.55 88.42 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.443 1.089 . . . . 1.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.561 ' O ' HG22 ' A' ' 62' ' ' ILE . 5.2 mt -142.49 36.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 1.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -98.13 64.57 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 1.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.536 ' HG1' ' CG ' ' A' ' 67' ' ' ASP . 38.3 p -155.68 149.16 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 110.36 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.81 -56.24 15.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ASP . 7.8 mtt-85 -45.05 -65.41 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 1.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.536 ' CG ' ' HG1' ' A' ' 64' ' ' THR . 2.0 m-20 -35.84 -38.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 109.226 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 68' ' ' VAL . 62.6 t -87.76 51.24 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -164.57 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.18 -65.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -45.7 -56.35 5.37 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.82 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.542 HD11 ' HB1' ' A' ' 92' ' ' ALA . 7.1 pt -40.05 -37.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.51 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.6 ttt180 -63.17 -62.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -127.64 75.06 78.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 1.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 69.6 Cg_endo -84.31 175.06 7.57 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 C-N-CA 124.285 3.323 . . . . 1.0 109.605 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.98 -169.17 45.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.25 153.45 65.08 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 1.0 109.582 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.57 -34.88 4.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 1.0 111.049 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.558 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -120.34 131.19 24.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.106 0.955 . . . . 1.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.558 ' O ' ' O ' ' A' ' 79' ' ' MET . 38.9 Cg_exo -54.31 -145.35 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.303 3.335 . . . . 1.0 109.61 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -147.98 170.68 17.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 92.6 m-85 -155.16 107.19 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 1.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.19 -168.41 25.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.542 1.151 . . . . 1.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.29 4.88 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 1.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.88 89.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.3 ttm -115.02 -54.37 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mt -115.67 116.83 40.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.772 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.7 Cg_endo -72.51 140.17 32.64 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.285 3.323 . . . . 1.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.616 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 71.8 Cg_exo -41.35 -46.48 5.72 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.301 3.334 . . . . 1.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.49 -41.97 81.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 1.0 109.336 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.772 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.3 m-20 -70.65 -10.67 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -84.03 -38.57 20.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -15.09 29.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 1.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 -27.69 23.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.48 HD11 HD12 ' A' ' 30' ' ' LEU . 12.1 mm -73.39 -44.37 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 1.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.4 -26.61 5.14 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.4 mt-10 -66.61 -51.05 60.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 122.086 0.946 . . . . 1.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' CE1' ' CD1' ' A' ' 31' ' ' PHE . 59.9 t80 -49.31 -26.94 3.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.818 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.75 ' O ' HG12 ' A' ' 99' ' ' VAL . 72.1 t -93.48 29.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 100' ' ' VAL . 53.0 t -141.94 16.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.07 47.36 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 1.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -37.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 1.0 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.35 76.45 1.8 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 1.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 1.0 109.594 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.653 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.46 -81.81 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -59.09 -25.79 60.26 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -66.9 -41.82 93.18 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.06 -0.816 . . . . 1.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.11 -30.77 62.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 1.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 95' ' ' ILE . 58.8 mt -80.07 -42.34 23.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 4.5 t80 -70.06 -28.31 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.876 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -90.16 46.23 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -168.42 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -103.15 -7.73 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.605 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.7 m -126.68 -45.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 108.282 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.876 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.49 -33.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.61 46.99 3.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.441 1.088 . . . . 1.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.44 -31.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.406 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.5 m-70 -116.71 61.2 2.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 1.0 109.617 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 64.7 Cg_endo -73.66 118.29 5.4 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.277 3.318 . . . . 1.0 109.593 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 52.4 57.31 6.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 1.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 44.39 30.35 2.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.5 -154.79 21.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 9.6 m120 -151.26 143.62 24.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 1.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -110.12 -6.68 15.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 1.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.636 HG12 ' CD2' ' A' ' 47' ' ' HIS . 94.7 t -112.13 -56.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 1.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.636 ' CD2' HG12 ' A' ' 46' ' ' VAL . 49.0 m170 -115.57 110.75 44.41 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 1.0 109.56 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -82.75 17.22 1.66 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.302 3.335 . . . . 1.0 109.6 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.2 pt-20 -129.03 3.37 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 110.31 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.1 mttt -126.71 84.49 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -96.31 179.99 4.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 1.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -91.91 17.26 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 130.21 35.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 1.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' GLU . 16.8 ttp-105 -48.7 -46.64 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 1.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.89 -46.65 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 1.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 11.2 mmt85 -84.54 -42.71 15.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 1.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.586 HH11 ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -57.85 -17.22 14.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -78.82 -46.88 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 1.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.5 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -51.33 -53.02 40.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.504 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.6 m-80 -76.1 -30.77 58.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.51 76.13 1.22 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 1.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' HG22 ' A' ' 62' ' ' ILE . 5.0 mt -138.43 55.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.763 . . . . 1.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' C ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -110.96 55.59 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 110.241 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' C ' ' A' ' 63' ' ' ARG . 62.1 p -154.82 144.0 21.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 1.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.32 -55.4 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' NH2' HD21 ' A' ' 93' ' ' LEU . 2.6 mtt-85 -43.5 -61.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 1.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' ARG . 15.9 m-20 -36.52 -38.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 68' ' ' VAL . 89.0 t -87.67 50.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -163.95 -42.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.59 -64.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -55.92 6.78 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.818 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.487 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.0 pt -39.9 -36.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' N ' HG13 ' A' ' 72' ' ' ILE . 2.5 ttt180 -66.99 -58.99 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 1.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -129.38 73.17 81.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 1.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 69.7 Cg_endo -84.08 174.79 8.01 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.318 3.345 . . . . 1.0 109.623 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.87 -170.03 45.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 1.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.46 152.8 65.19 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.36 . . . . 1.0 109.515 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.53 -34.97 4.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.159 . . . . 1.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.551 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.78 131.17 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.047 0.927 . . . . 1.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.551 ' O ' ' O ' ' A' ' 79' ' ' MET . 37.6 Cg_exo -54.47 -145.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -147.48 169.4 19.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 1.0 109.3 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 81.2 m-85 -154.78 107.56 2.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.0 -168.92 27.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.559 1.162 . . . . 1.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.59 2.93 15.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 1.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.54 96.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.2 ttm -116.05 -54.43 2.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.3 116.14 37.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 1.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.775 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 60.4 Cg_endo -73.71 148.72 42.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.331 3.354 . . . . 1.0 109.639 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.74 -40.9 64.48 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.344 3.363 . . . . 1.0 109.587 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.38 -28.87 70.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.0 109.292 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.775 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 4.7 m-20 -84.99 -12.24 53.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 1.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -82.47 -38.85 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD21 ' NH2' ' A' ' 66' ' ' ARG . 59.4 mt -60.16 -15.75 26.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 1.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -86.81 -28.62 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 1.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.431 HD11 HD12 ' A' ' 30' ' ' LEU . 8.8 mm -72.64 -44.88 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -48.61 -24.72 4.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 1.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.5 mt-10 -69.6 -53.59 18.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 122.159 0.98 . . . . 1.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -48.12 -27.52 2.39 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.841 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.731 ' O ' HG12 ' A' ' 99' ' ' VAL . 74.1 t -95.29 32.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 100' ' ' VAL . 52.9 t -141.01 15.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.4 44.73 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.74 -37.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -162.91 77.89 1.83 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo . . . . . 0 N--CA 1.447 -1.232 0 C-N-CA 124.308 3.339 . . . . 1.0 109.556 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.671 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.5 -73.35 0.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 1.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.16 -25.74 62.69 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.843 . . . . 1.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.13 -45.68 61.12 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -52.58 -26.9 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 1.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 94' ' ' LYS . 27.3 mt -82.58 -41.71 19.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 1.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 1.6 t80 -73.79 -16.78 61.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 1.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.93 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -97.13 43.32 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -172.93 -38.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 1.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -102.54 -4.26 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.577 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' N ' ' A' ' 37' ' ' GLY . 4.7 m -134.03 -47.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 1.0 108.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.93 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.83 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 1.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.78 46.38 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.478 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 168.81 -31.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.0 m-70 -117.13 60.15 2.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 1.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 59.2 Cg_endo -74.46 129.52 12.93 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.263 3.309 . . . . 1.0 109.611 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 46.65 48.42 14.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 1.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 54.65 17.94 9.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 1.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.98 -160.68 29.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -154.77 144.74 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 1.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 p -107.47 0.2 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 110.406 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.587 HG12 ' CD2' ' A' ' 47' ' ' HIS . 99.6 t -109.95 -56.29 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 1.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CD2' HG12 ' A' ' 46' ' ' VAL . 55.0 m170 -116.62 112.24 41.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 1.0 109.639 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -85.11 15.06 2.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.293 3.329 . . . . 1.0 109.605 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 4.0 pt-20 -129.73 3.31 4.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 110.268 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.16 90.25 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.1 p -101.42 -174.22 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 1.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.98 15.57 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 1.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.71 131.32 35.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.5 ttt180 -50.38 -52.98 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' ARG . . . -40.41 -34.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 11.3 mmt85 -95.42 -49.0 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 1.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.739 HH21 HG22 ' A' ' 62' ' ' ILE . 5.0 mtm180 -57.85 -15.31 8.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 1.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.4 pt-20 -82.25 -48.88 10.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 1.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.547 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.92 -45.08 30.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -79.22 -30.3 43.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 1.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.42 71.41 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 1.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.739 HG22 HH21 ' A' ' 57' ' ' ARG . 6.8 mt -138.71 59.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.772 . . . . 1.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.7 56.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.501 HG23 ' C ' ' A' ' 63' ' ' ARG . 40.4 p -156.2 144.7 20.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 1.0 110.368 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.65 -52.23 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 1.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 67' ' ' ASP . 5.9 mtt85 -45.59 -63.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 1.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.9 m-20 -35.74 -39.92 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 68' ' ' VAL . 71.4 t -86.0 50.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -166.3 -42.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.64 -65.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -45.4 -55.51 5.98 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.804 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.559 HD11 ' HB1' ' A' ' 92' ' ' ALA . 6.0 pt -40.3 -36.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 1.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.429 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -63.03 -59.97 4.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 1.0 110.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -129.52 72.4 81.96 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 1.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.494 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 72.5 Cg_endo -81.97 174.9 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 1.0 109.652 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.88 -170.45 47.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.546 1.154 . . . . 1.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.17 154.28 58.8 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.347 3.365 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.41 -34.38 5.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 1.0 111.004 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.56 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.39 129.96 25.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.069 0.938 . . . . 1.0 111.047 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 79' ' ' MET . 40.7 Cg_exo -54.16 -145.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.275 3.317 . . . . 1.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' C ' ' CD1' ' A' ' 82' ' ' PHE . . . -151.17 164.34 36.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 1.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 81' ' ' ALA . 71.3 m-85 -148.71 103.43 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.71 -168.63 28.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.456 1.098 . . . . 1.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -75.03 0.29 16.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 1.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.85 97.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 1.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.9 ttm -118.95 -54.99 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -116.82 117.58 37.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.779 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.3 Cg_endo -72.4 140.67 33.84 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.359 . . . . 1.0 109.561 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.607 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.6 Cg_exo -41.3 -46.75 5.61 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.321 3.347 . . . . 1.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.6 -41.77 81.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.324 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.779 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.4 m-20 -71.05 -9.06 57.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -86.92 -35.89 18.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.4 mt -61.03 -17.74 53.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HD2' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -86.0 -19.43 30.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 30' ' ' LEU . 5.8 mm -81.1 -37.74 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 1.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -56.61 -20.84 32.96 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 100' ' ' VAL . 7.1 mt-10 -74.59 -52.74 10.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.101 0.953 . . . . 1.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' HE1' ' CD2' ' A' ' 31' ' ' PHE . 67.8 t80 -48.82 -27.42 2.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 99' ' ' VAL . 75.0 t -95.84 30.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.685 ' O ' HG12 ' A' ' 100' ' ' VAL . 82.2 t -147.48 19.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.21 22.91 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 1.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.4 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 9.6 p -153.13 -45.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -152.21 84.39 4.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 1.0 111.023 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 N--CA 1.446 -1.278 0 C-N-CA 124.304 3.336 . . . . 1.0 109.643 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.655 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.79 -74.48 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 1.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.63 -26.31 64.58 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -67.48 -40.39 91.15 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.91 -28.58 64.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 1.0 110.261 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.6 mt -82.55 -43.2 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 1.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 1.6 t80 -70.87 -25.47 62.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 1.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.971 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -92.08 45.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -168.85 -40.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 1.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -102.74 -7.67 21.48 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 1.0 109.578 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.4 m -128.17 -46.49 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 1.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.971 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -37.78 -33.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.59 46.14 3.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.45 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 169.44 -31.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.322 -0.992 . . . . 1.0 108.322 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.8 m-70 -116.85 61.42 2.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.585 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 69.0 Cg_endo -72.88 108.88 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.36 3.373 . . . . 1.0 109.587 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 59.75 63.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 41.03 28.18 0.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 1.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' C ' ' OD1' ' A' ' 44' ' ' ASN . . . -105.84 -158.04 22.37 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 4.6 m120 -151.82 143.59 23.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 1.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.424 HG23 ' HG3' ' A' ' 40' ' ' PRO . 1.2 p -109.45 -4.24 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 1.0 110.438 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.606 HG12 ' CD2' ' A' ' 47' ' ' HIS . 91.7 t -112.08 -56.48 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.606 ' CD2' HG12 ' A' ' 46' ' ' VAL . 49.3 m170 -116.1 107.84 47.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 1.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -82.42 19.53 1.26 Allowed 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.323 3.349 . . . . 1.0 109.564 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' HG2' ' A' ' 50' ' ' LYS . 4.7 pt-20 -132.0 4.88 4.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 1.0 110.26 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 19.8 mmtt -130.19 71.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.7 p -83.59 -176.57 6.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 1.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.702 HD23 HBA1 ' A' ' 201' ' ' HEC . 95.7 mt -93.51 19.66 8.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.2 130.04 35.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 1.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 11.8 ttp180 -49.32 -47.06 47.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.38 -44.09 2.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 1.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -46.5 10.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 1.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.795 HH11 ' CG1' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -55.12 -18.82 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -78.17 -46.66 19.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 1.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -50.36 -54.45 21.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.534 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.5 m-80 -77.41 -30.85 53.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.35 82.03 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 1.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 57' ' ' ARG . 5.2 mt -142.08 57.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' C ' HG23 ' A' ' 64' ' ' THR . 7.2 mtm180 -115.25 58.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 63' ' ' ARG . 33.6 p -154.67 150.44 27.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 1.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.508 HG13 ' HA3' ' A' ' 96' ' ' GLY . 42.1 t -66.76 -51.73 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 67' ' ' ASP . 53.0 mtt85 -46.72 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 1.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 66' ' ' ARG . 27.5 m-20 -36.31 -41.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 68' ' ' VAL . 43.4 t -86.05 51.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -168.55 -42.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . -78.27 -64.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.8 OUTLIER -41.97 -55.4 3.15 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.828 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.467 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.0 pt -39.87 -36.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 1.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' ALA . 2.3 ttt180 -59.71 -61.28 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 1.0 110.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -129.96 73.44 81.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 1.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.537 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 67.9 Cg_endo -82.52 174.98 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.348 3.366 . . . . 1.0 109.597 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.33 -170.2 46.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 1.0 110.994 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -61.12 154.49 57.04 Favored 'Trans proline' 0 N--CA 1.447 -1.265 0 C-N-CA 124.309 3.339 . . . . 1.0 109.613 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.27 -34.5 4.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.13 . . . . 1.0 110.996 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.8 ttp -120.74 130.45 24.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-O 122.095 0.95 . . . . 1.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.559 ' O ' ' O ' ' A' ' 79' ' ' MET . 40.3 Cg_exo -54.21 -146.36 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.322 3.348 . . . . 1.0 109.571 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.35 161.68 42.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 1.0 109.316 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -145.59 108.67 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.08 -169.58 32.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.566 1.166 . . . . 1.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.64 3.93 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 1.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.46 90.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 1.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 33.4 ttm -114.9 -54.64 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -117.13 116.29 37.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.644 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.5 Cg_endo -73.81 148.57 41.3 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.306 3.337 . . . . 1.0 109.569 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.7 -40.05 65.59 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.253 3.302 . . . . 1.0 109.589 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.21 -28.5 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.644 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 3.8 m-20 -85.88 -12.98 49.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 72' ' ' ILE . . . -82.7 -40.02 21.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 1.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.6 mt -58.61 -17.63 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 1.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -25.23 26.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 mm -73.89 -38.74 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 1.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.508 ' HA3' HG13 ' A' ' 65' ' ' VAL . . . -52.18 -23.71 13.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 1.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 10.0 mt-10 -68.67 -51.72 38.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.079 0.942 . . . . 1.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 31' ' ' PHE . 66.3 t80 -49.27 -28.16 4.47 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.795 ' CG1' HH11 ' A' ' 57' ' ' ARG . 76.1 t -95.5 30.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 1.0 109.301 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 100' ' ' VAL . 86.7 t -148.05 20.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.88 -6.9 11.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.407 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 97.0 p -130.03 -43.62 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 1.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -147.29 80.34 9.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo . . . . . 0 N--CA 1.447 -1.253 0 C-N-CA 124.355 3.37 . . . . 1.0 109.612 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.702 HBA1 HD23 ' A' ' 52' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.34 -91.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 1.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -48.86 -29.42 8.15 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' ALA . . . -68.76 -42.84 77.86 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -57.28 -25.17 58.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 1.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 95' ' ' ILE . 25.4 mt -88.04 -46.09 9.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 1.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 3.3 t80 -69.92 -17.72 63.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.921 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.2 43.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.581 1.176 . . . . 1.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -173.78 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -103.28 4.06 36.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.6 m -144.13 -47.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 1.0 108.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.921 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.16 -35.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.59 46.95 3.54 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.431 1.082 . . . . 1.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.45 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 169.4 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.0 m-70 -116.82 61.33 2.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 66.8 Cg_endo -73.19 114.09 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.367 3.378 . . . . 1.0 109.575 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? 56.11 59.02 3.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 1.0 110.326 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . 43.41 29.56 1.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 1.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -104.89 -151.31 20.93 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 6.9 m120 -156.04 143.75 19.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 p -110.13 -7.62 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 110.405 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG12 ' CD2' ' A' ' 47' ' ' HIS . 88.5 t -110.9 -56.7 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.348 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.597 ' CD2' HG12 ' A' ' 46' ' ' VAL . 47.4 m170 -116.26 110.3 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.606 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -85.2 17.1 1.83 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.318 3.346 . . . . 1.0 109.582 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 1.4 mm-40 -126.46 3.3 6.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.0 mmtm -130.6 78.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 p -86.62 -175.38 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 110.428 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD22 HMA3 ' A' ' 201' ' ' HEC . 87.7 mt -93.28 19.34 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.44 130.7 40.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -49.76 -51.65 37.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.28 -35.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 1.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 16.8 mmt85 -90.48 -46.96 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' NH1' ' O ' ' A' ' 103' ' ' PHE . 2.1 mtm-85 -59.61 -15.26 17.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 1.0 110.235 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.54 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 1.5 pt-20 -83.99 -48.43 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -47.53 -45.25 26.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 1.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.8 m-80 -78.81 -25.29 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.747 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 84.32 68.41 1.4 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 1.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.493 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 8.6 mt -135.35 63.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 0.734 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.747 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -116.28 55.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 1.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.503 HG23 ' C ' ' A' ' 63' ' ' ARG . 39.7 p -156.18 150.86 25.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.453 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 t -64.28 -57.85 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 67' ' ' ASP . 3.2 mtt-85 -43.98 -61.64 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 1.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.3 m-20 -36.24 -43.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 1.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 28.7 t -84.55 52.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -165.59 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 1.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -76.63 -64.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.3 m-85 -44.53 -55.76 4.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.484 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.4 pt -39.82 -36.3 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 3.0 tmt_? -57.91 -63.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -126.58 73.96 74.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.538 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 69.4 Cg_endo -81.74 175.23 9.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.298 3.332 . . . . 1.0 109.549 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.1 -171.1 47.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 1.0 110.965 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.06 155.56 55.01 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.295 3.33 . . . . 1.0 109.575 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.14 -34.2 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 1.0 111.008 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.576 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.2 ttp -120.12 130.18 24.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.125 0.964 . . . . 1.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 79' ' ' MET . 43.2 Cg_exo -53.8 -145.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.359 3.373 . . . . 1.0 109.609 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -156.47 158.86 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -140.3 101.6 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 1.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.59 -170.4 37.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.108 . . . . 1.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.77 3.02 15.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 1.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.52 91.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 36.7 ttm -116.63 -54.88 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 1.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mt -116.62 118.1 37.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.789 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 59.5 Cg_endo -73.13 138.22 27.6 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.329 3.352 . . . . 1.0 109.54 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.533 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.6 Cg_exo -41.2 -44.62 5.46 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.304 3.336 . . . . 1.0 109.627 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.58 87.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.33 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.789 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 7.4 m-20 -72.26 -9.09 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -88.99 -25.55 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.41 -20.32 66.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD2' ' CD1' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -85.63 -23.57 27.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 1.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.498 HD11 HD12 ' A' ' 30' ' ' LEU . 8.7 mm -72.45 -53.64 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -43.79 -28.12 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 1.0 111.011 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' VAL . 12.6 mt-10 -65.59 -49.26 69.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 122.136 0.969 . . . . 1.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.549 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 78.3 t80 -48.26 -26.71 2.1 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.812 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 99' ' ' VAL . 74.1 t -97.76 33.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.683 ' O ' HG12 ' A' ' 100' ' ' VAL . 73.2 t -145.85 20.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.75 25.3 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 1.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 79.1 p -157.48 -45.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 1.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.6 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER -150.9 84.21 5.48 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 1.0 111.025 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.33 3.353 . . . . 1.0 109.612 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.667 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.312 -0.625 . . . . 1.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.14 -91.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 1.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ALA . . . -51.32 -32.65 30.15 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 -33.37 87.04 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.52 -23.47 67.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.786 . . . . 1.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.529 HD12 HD11 ' A' ' 95' ' ' ILE . 15.8 mt -91.51 -42.26 10.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 1.9 t80 -71.2 -14.92 62.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.934 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.93 42.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 1.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -174.3 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 1.0 110.462 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -103.01 3.16 35.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 1.0 109.632 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.9 m -143.17 -47.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 1.0 108.341 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.41 -35.9 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.57 47.91 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.47 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 167.78 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.342 -0.984 . . . . 1.0 108.342 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 79.7 m-70 -117.49 60.75 3.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 1.0 109.577 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.565 ' HG3' HG23 ' A' ' 45' ' ' THR . 63.4 Cg_endo -73.78 129.66 13.75 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.304 3.336 . . . . 1.0 109.572 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' C ' ' N ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 44.51 60.69 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 110.303 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 41.58 27.26 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 1.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 41' ' ' GLN . . . -109.75 -151.91 13.87 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 1.4 m-20 -162.81 141.06 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.565 HG23 ' HG3' ' A' ' 40' ' ' PRO . 32.4 p -108.04 4.68 25.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG12 ' CD2' ' A' ' 47' ' ' HIS . 60.1 t -110.62 -58.3 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.499 ' CD2' HG12 ' A' ' 46' ' ' VAL . 50.0 m170 -116.76 118.68 36.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 1.0 109.557 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -87.57 12.23 2.97 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.346 3.364 . . . . 1.0 109.62 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mm-40 -127.31 2.05 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 1.0 110.26 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 8.3 mmpt? -129.96 90.92 3.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.6 p -101.72 -169.8 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 1.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD22 HMA3 ' A' ' 201' ' ' HEC . 79.9 mt -96.43 20.64 10.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.77 130.16 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 57' ' ' ARG . 7.8 ttt180 -58.36 -30.62 66.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.152 . . . . 1.0 110.281 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.06 58.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 1.0 109.344 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 49' ' ' GLU . 8.1 mmt85 -73.74 -23.9 59.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 1.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' ILE . 14.6 mtm180 -71.6 -4.07 25.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 1.0 110.306 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.549 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 3.7 pt-20 -85.97 -48.74 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -57.2 -52.33 65.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 1.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.5 m-80 -75.25 -33.82 61.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.787 ' C ' HH11 ' A' ' 63' ' ' ARG . . . 85.58 80.04 1.14 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 1.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.586 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 3.8 mt -140.51 62.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.787 HH11 ' C ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -116.75 54.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 63' ' ' ARG . 35.3 p -156.76 153.12 27.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.79 -54.36 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 1.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ASP . 40.4 mtt85 -45.67 -64.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 1.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' ARG . 14.3 m-20 -34.8 -39.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 43.6 t -88.58 53.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -169.26 -40.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.53 -65.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 1.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -45.08 -54.41 6.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.856 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG12 ' CA ' ' A' ' 69' ' ' ALA . 4.2 pt -40.75 -36.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' N ' HG13 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -58.89 -61.04 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 110.272 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -127.55 76.32 76.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.664 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 59.5 Cg_endo -84.77 175.36 6.9 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.298 3.332 . . . . 1.0 109.622 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.04 -174.06 46.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 1.0 111.053 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -56.36 154.94 27.1 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.283 3.322 . . . . 1.0 109.598 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.5 -34.81 4.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.562 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.5 ttp -122.68 129.78 24.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.061 0.934 . . . . 1.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.664 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 41.2 Cg_exo -54.08 -148.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.327 3.351 . . . . 1.0 109.55 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.17 164.96 36.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 1.0 109.341 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -144.66 102.26 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 1.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -84.64 -173.09 49.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 1.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.44 11.82 9.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 1.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.61 -44.84 48.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -55.26 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 mt -114.86 117.97 41.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 1.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.77 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.6 Cg_endo -72.45 138.88 30.64 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.343 3.362 . . . . 1.0 109.563 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.629 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.5 Cg_exo -40.36 -46.53 4.33 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.296 3.331 . . . . 1.0 109.623 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.07 82.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 1.0 109.312 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.77 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 2.7 m-20 -70.3 -9.91 57.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 1.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -85.07 -38.46 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 72.7 mt -61.45 -14.69 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.35 -25.43 23.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 1.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.529 HD11 HD12 ' A' ' 30' ' ' LEU . 12.2 mm -72.26 -53.62 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -42.0 -27.42 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 1.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 100' ' ' VAL . 17.0 mt-10 -66.18 -50.92 62.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.089 0.947 . . . . 1.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' CE2' ' CG ' ' A' ' 31' ' ' PHE . 63.0 t80 -48.84 -26.97 2.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.829 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.762 ' O ' HG12 ' A' ' 99' ' ' VAL . 77.1 t -96.67 32.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 1.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.676 ' O ' HG12 ' A' ' 100' ' ' VAL . 87.4 t -147.39 19.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.69 -21.51 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 1.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.0 p -118.18 -48.58 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 1.0 109.952 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.29 85.49 32.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo . . . . . 0 N--CA 1.447 -1.244 0 C-N-CA 124.352 3.368 . . . . 1.0 109.593 179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.659 HBB3 HMB1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.37 -63.04 3.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 1.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.64 -28.71 65.73 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.2 62.79 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.016 -0.833 . . . . 1.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.45 -26.94 68.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 1.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 37.6 mt -84.0 -45.21 13.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 1.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 31' ' ' PHE . 1.8 t80 -72.01 -17.2 62.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.918 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -96.55 43.13 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 1.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -172.35 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.0 110.395 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -102.14 -4.29 26.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 1.0 109.582 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 4.2 m -134.0 -47.54 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.918 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.21 -33.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.81 47.08 3.59 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 1.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.475 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.5 OUTLIER 168.37 -31.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.257 -1.016 . . . . 1.0 108.257 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.42 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.3 m-70 -117.27 60.61 2.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 1.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 62.9 Cg_endo -73.8 126.73 10.95 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.344 3.362 . . . . 1.0 109.574 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 47.68 51.65 13.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 1.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 52.01 19.74 5.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 1.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.96 -158.96 26.44 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -156.32 150.03 24.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 1.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.1 p -115.12 1.72 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 110.407 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.503 HG12 ' CD2' ' A' ' 47' ' ' HIS . 65.3 t -109.63 -58.2 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.503 ' CD2' HG12 ' A' ' 46' ' ' VAL . 47.9 m170 -117.06 117.55 36.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 1.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -87.59 11.3 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.348 3.365 . . . . 1.0 109.533 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -123.49 -2.8 8.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 1.0 110.273 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 1.2 mmpm? -125.77 86.87 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.0 p -101.94 -172.1 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 1.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD22 HMA3 ' A' ' 201' ' ' HEC . 84.5 mt -95.21 19.73 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.73 131.53 37.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 1.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.4 ttt180 -52.18 -50.85 61.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.75 -38.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 1.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.21 -49.26 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.639 HH21 HMA3 ' A' ' 201' ' ' HEC . 3.9 mtm-85 -55.93 -16.91 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 2.2 pt-20 -80.63 -48.46 12.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 1.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.532 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -48.01 -46.87 33.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 1.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 60' ' ' ASN . 1.9 m-80 -77.27 -29.1 53.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.9 71.3 1.31 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 1.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.71 HD12 ' CGA' ' A' ' 201' ' ' HEC . 5.4 mt -132.5 59.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 1.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.71 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.18 58.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 63' ' ' ARG . 2.0 p -160.33 165.12 31.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 1.0 110.358 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.8 t -80.96 -52.65 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ASP . 33.8 mtt-85 -43.39 -66.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' ARG . 47.5 m-20 -35.29 -45.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 68' ' ' VAL . 38.2 t -83.16 51.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 1.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -165.87 -42.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.87 -65.11 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.2 m-85 -42.96 -55.25 3.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.824 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.449 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.0 pt -40.06 -36.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -58.73 -60.87 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 1.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.15 73.49 81.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 1.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.548 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 68.5 Cg_endo -81.76 175.24 9.57 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.296 3.331 . . . . 1.0 109.625 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.13 -171.21 48.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 1.0 110.985 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.3 154.54 57.57 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.316 3.344 . . . . 1.0 109.596 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.38 -34.66 4.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 1.0 110.993 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.572 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -120.75 129.96 25.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.118 0.961 . . . . 1.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' A' ' 79' ' ' MET . 42.7 Cg_exo -53.81 -146.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.29 3.327 . . . . 1.0 109.617 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.75 162.64 41.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 1.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -143.15 106.57 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 1.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.54 -170.07 32.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 1.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.51 3.28 16.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 1.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.73 95.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 1.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.3 ttm -117.34 -53.34 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 1.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.1 mt -116.11 118.05 38.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 1.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.771 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 58.6 Cg_endo -72.92 139.24 29.87 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.295 3.33 . . . . 1.0 109.573 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.644 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 73.3 Cg_exo -41.05 -46.09 5.15 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.284 3.323 . . . . 1.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.55 83.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.771 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 1.3 m-20 -69.61 -10.8 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -82.68 -36.79 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 1.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.38 -13.76 32.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 1.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.33 -30.99 20.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 30' ' ' LEU . 15.6 mm -68.46 -51.13 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 1.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 100' ' ' VAL . . . -42.83 -27.79 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 1.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 100' ' ' VAL . 9.4 mt-10 -65.79 -50.01 66.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.153 0.978 . . . . 1.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.461 ' CE2' ' CD2' ' A' ' 31' ' ' PHE . 59.9 t80 -49.56 -28.32 5.46 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.014 -0.994 . . . . 1.0 109.854 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.77 ' O ' HG12 ' A' ' 99' ' ' VAL . 69.6 t -94.05 29.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 1.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.646 ' O ' HG12 ' A' ' 100' ' ' VAL . 69.7 t -137.22 12.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 1.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.26 48.89 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.86 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -166.71 77.73 1.07 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.276 3.317 . . . . 1.0 109.599 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.71 ' CGA' HD12 ' A' ' 62' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.71 -61.83 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 1.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.436 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -60.16 -32.53 76.54 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.54 -37.48 92.63 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.61 -23.44 64.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 1.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.8 mt -90.1 -42.09 11.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.703 ' CG ' ' CE1' ' A' ' 98' ' ' TYR . 2.3 t80 -72.04 -16.95 62.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 1.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.929 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -95.89 43.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -173.74 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 1.0 110.447 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -102.89 2.25 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.537 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 3.8 m -141.92 -47.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 1.0 108.322 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.929 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -39.16 -36.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.0 109.274 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.91 47.81 3.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.527 1.142 . . . . 1.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HB2' ' CMC' ' A' ' 201' ' ' HEC . 0.6 OUTLIER 168.08 -32.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.268 -1.012 . . . . 1.0 108.268 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 83.2 m-70 -117.63 60.61 3.23 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 109.598 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HD3' ' C ' ' A' ' 38' ' ' CYS . 63.7 Cg_endo -73.82 129.92 14.0 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.29 3.327 . . . . 1.0 109.546 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 45.66 51.33 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 110.32 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 51.58 19.97 5.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 1.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -101.67 -157.03 26.62 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.4 m-20 -159.26 146.28 17.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.3 p -111.09 0.79 17.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.379 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.52 HG12 ' CD2' ' A' ' 47' ' ' HIS . 60.2 t -107.37 -56.82 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.52 ' CD2' HG12 ' A' ' 46' ' ' VAL . 53.5 m170 -116.67 117.15 38.14 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 1.0 109.598 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -86.81 13.48 2.7 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.304 3.336 . . . . 1.0 109.624 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -131.32 4.42 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 1.0 110.262 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -129.95 91.39 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 22.1 p -102.61 -165.16 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.433 HD22 HMA3 ' A' ' 201' ' ' HEC . 89.6 mt -101.05 23.96 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 1.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.15 132.86 34.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 58' ' ' GLU . 9.2 ttm-85 -52.52 -44.36 65.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.89 -42.2 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -47.91 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 1.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -55.52 -19.11 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -77.24 -40.87 43.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 1.0 110.265 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . -56.56 -54.37 46.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 1.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.52 -33.17 62.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.2 74.5 1.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 1.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ARG . 3.2 mt -142.27 56.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' C ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -113.09 55.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 1.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 63' ' ' ARG . 65.4 p -155.44 150.61 26.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG13 ' HA3' ' A' ' 96' ' ' GLY . 39.0 t -63.77 -58.48 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 1.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -44.54 -63.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.293 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -37.25 -42.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 68' ' ' VAL . 52.7 t -83.26 50.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -163.84 -42.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 73' ' ' ARG . . . -77.44 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ILE . 1.1 m-85 -43.13 -55.27 3.97 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 92' ' ' ALA . 4.7 pt -40.41 -36.44 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 2.2 ttt180 -58.07 -61.63 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -127.44 76.55 76.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.66 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 59.6 Cg_endo -85.04 175.94 6.27 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.333 3.355 . . . . 1.0 109.58 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.9 -174.41 45.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 1.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.54 155.78 20.1 Favored 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.322 3.348 . . . . 1.0 109.617 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.49 -34.65 4.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 1.0 111.017 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.569 ' O ' ' O ' ' A' ' 80' ' ' PRO . 3.3 ttp -122.76 130.01 24.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.076 0.941 . . . . 1.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.66 ' O ' ' HG2' ' A' ' 75' ' ' PRO . 43.7 Cg_exo -53.89 -146.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 1.0 109.619 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.4 166.55 32.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 1.0 109.316 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -147.68 106.46 3.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -98.66 -171.0 31.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 1.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -77.64 2.17 17.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 1.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.11 96.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.4 ttm -118.81 -52.7 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.38 117.49 40.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.647 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.1 Cg_endo -73.14 139.13 29.09 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.344 3.363 . . . . 1.0 109.632 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.622 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 74.2 Cg_exo -41.05 -45.41 5.19 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.259 3.306 . . . . 1.0 109.642 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.69 81.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.647 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 16.6 m-20 -70.14 -10.61 59.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.24 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -84.54 -38.89 19.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.56 -15.36 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.95 -22.78 24.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.7 mm -74.66 -40.33 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.48 ' HA3' HG13 ' A' ' 65' ' ' VAL . . . -51.66 -21.8 7.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 1.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 100' ' ' VAL . 8.2 mt-10 -73.54 -55.15 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.099 0.952 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.703 ' CE1' ' CG ' ' A' ' 31' ' ' PHE . 87.1 t80 -43.85 -28.8 0.47 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.768 ' O ' HG12 ' A' ' 99' ' ' VAL . 77.3 t -97.19 39.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.69 ' O ' HG12 ' A' ' 100' ' ' VAL . 74.5 t -150.21 21.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.42 29.07 4.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 p -161.61 -43.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.0 109.993 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -156.09 74.27 4.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 1.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.346 3.364 . . . . 1.0 109.592 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.643 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.274 -0.639 . . . . 1.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.76 -61.94 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 1.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' CA ' ' HD3' ' A' ' 94' ' ' LYS . . . -48.21 -34.78 13.2 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.16 -45.55 48.8 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -54.81 -25.22 26.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 1.0 110.332 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD12 HD11 ' A' ' 95' ' ' ILE . 35.7 mt -83.9 -45.42 13.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.438 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 4.8 t80 -67.67 -19.97 65.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.909 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . . . -94.21 43.61 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.1 m -173.27 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 1.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -105.01 5.26 32.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 1.0 109.608 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 31' ' ' PHE . 4.3 m -144.0 -48.08 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 108.3 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.909 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . . . -38.92 -32.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 35' ' ' CYS . . . -82.94 45.65 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 1.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' C ' ' HD3' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 169.83 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.315 -0.995 . . . . 1.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.409 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 81.9 m-70 -116.95 61.03 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 1.0 109.645 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' HG3' HG23 ' A' ' 45' ' ' THR . 64.4 Cg_endo -73.64 130.74 15.13 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.303 3.336 . . . . 1.0 109.565 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 44.17 57.45 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 45.8 24.4 1.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 1.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.75 -157.56 21.3 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.979 -0.849 . . . . 1.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' CYS . 1.5 m-20 -156.15 141.01 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 1.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.484 HG23 ' HG3' ' A' ' 40' ' ' PRO . 2.3 p -103.72 0.09 30.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 1.0 110.416 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG12 ' CD2' ' A' ' 47' ' ' HIS . 96.6 t -109.99 -56.53 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 1.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.545 ' CD2' HG12 ' A' ' 46' ' ' VAL . 48.5 m170 -116.48 115.59 39.67 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -85.87 15.58 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.319 3.346 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.03 6.34 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 1.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -129.59 77.56 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.466 ' O ' ' NH2' ' A' ' 57' ' ' ARG . 54.8 p -91.26 -167.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 1.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD23 ' O1A' ' A' ' 201' ' ' HEC . 71.4 mt -108.09 28.86 7.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.91 131.04 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -49.85 -50.49 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 1.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.95 -33.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -43.45 8.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 1.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' CZ ' ' CBA' ' A' ' 201' ' ' HEC . 8.2 mmp_? -65.77 -7.77 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 1.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' CG ' ' N ' ' A' ' 59' ' ' ALA . 5.3 pt-20 -86.18 -48.53 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 1.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 58' ' ' GLU . . . -52.0 -48.61 64.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 1.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' N ' HD22 ' A' ' 60' ' ' ASN . 1.7 m-80 -80.46 -40.42 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' CA ' ' NH1' ' A' ' 63' ' ' ARG . . . 95.19 78.61 1.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 1.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' N ' ' HE ' ' A' ' 63' ' ' ARG . 4.3 mt -142.47 56.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.743 . . . . 1.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' NH1' ' CA ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -117.55 58.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 1.0 110.279 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 63' ' ' ARG . 32.7 p -151.58 144.47 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 1.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.1 t -59.27 -53.15 52.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' ASP . 28.2 mmt-85 -45.7 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 1.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ARG . 52.9 m-20 -37.53 -44.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.443 ' CG1' ' HA2' ' A' ' 96' ' ' GLY . 27.9 t -84.42 51.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 1.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CA ' HG12 ' A' ' 72' ' ' ILE . . . -167.01 -41.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.84 -65.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 1.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -45.31 -55.13 6.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.839 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.496 HD11 ' HB1' ' A' ' 92' ' ' ALA . 5.6 pt -39.98 -36.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.564 ' NH2' ' HG3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -64.23 -58.15 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.307 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.48 73.81 81.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.502 ' HG2' ' O ' ' A' ' 80' ' ' PRO . 72.2 Cg_endo -84.14 176.47 6.65 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.28 3.32 . . . . 1.0 109.588 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.44 -175.42 43.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 1.0 110.98 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.94 154.87 16.06 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.348 3.365 . . . . 1.0 109.551 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.24 -34.68 4.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 1.0 111.02 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.553 ' O ' ' O ' ' A' ' 80' ' ' PRO . 2.7 ttp -120.89 131.03 24.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.091 0.948 . . . . 1.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.553 ' O ' ' O ' ' A' ' 79' ' ' MET . 38.5 Cg_exo -54.68 -144.78 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.327 3.352 . . . . 1.0 109.589 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.43 167.76 25.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.346 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -152.05 105.22 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 1.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.79 -169.37 28.64 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.147 . . . . 1.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.88 3.17 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 1.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.17 98.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.0 ttm -115.89 -54.17 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 1.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.9 mt -114.83 117.5 41.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.707 ' HG2' ' CG ' ' A' ' 91' ' ' ASP . 57.3 Cg_endo -72.25 140.34 33.76 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.333 3.356 . . . . 1.0 109.616 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 72.1 Cg_exo -40.91 -46.36 4.96 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.342 3.361 . . . . 1.0 109.605 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.76 83.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.332 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.707 ' CG ' ' HG2' ' A' ' 88' ' ' PRO . 3.5 m-20 -69.25 -11.52 60.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 1.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 89' ' ' PRO . . . -82.56 -38.98 22.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 1.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.44 -14.48 28.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD3' ' CA ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -87.36 -31.31 20.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.578 HD11 HD12 ' A' ' 30' ' ' LEU . 7.0 mm -70.63 -50.77 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.443 ' HA2' ' CG1' ' A' ' 68' ' ' VAL . . . -45.34 -26.88 1.64 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 1.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 100' ' ' VAL . 17.6 mt-10 -68.25 -49.28 61.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.09 0.948 . . . . 1.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -50.77 -28.49 9.34 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.036 -0.983 . . . . 1.0 109.832 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.746 ' O ' HG12 ' A' ' 99' ' ' VAL . 68.9 t -91.42 24.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 100' ' ' VAL . 74.3 t -136.73 9.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.58 -23.28 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.578 ' OG ' ' CE1' ' A' ' 103' ' ' PHE . 6.2 p -105.84 -12.65 15.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE1' ' OG ' ' A' ' 102' ' ' SER . 0.1 OUTLIER 174.34 86.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 1.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo . . . . . 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 1.0 109.561 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.631 ' CHA' ' CGA' ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_