data_1xpv_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 1xpv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.411 HD13 ' CD2' ' A' ' 72' ' ' LEU . 33.3 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -156.04 110.79 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.56 102.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.483 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 85.1 m-85 -68.69 137.31 54.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.15 166.51 23.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD13 ' CZ2' ' A' ' 61' ' ' TRP . 19.1 tp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.14 -27.06 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.9 -53.68 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.61 -34.4 69.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -50.31 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.64 -35.97 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -48.56 81.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.09 88.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -62.98 -56.01 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.4 -47.15 76.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.52 -46.55 86.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -11.99 57.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 39.33 13.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -51.46 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.61 -138.03 9.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.86 154.8 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -164.23 -178.92 5.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -113.59 136.93 52.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.36 140.24 35.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.8 t -127.28 130.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -95.25 124.7 39.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.8 pt -82.63 -18.17 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.32 75.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 168.96 -32.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.36 106.38 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.87 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.03 77.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.27 -37.91 74.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -61.92 -44.84 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -36.51 76.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.26 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.483 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 24.6 m-85 -100.6 -71.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 61.09 -81.47 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.8 mm? -83.8 -30.66 26.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -90.5 37.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -52.28 -49.71 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.99 73.53 4.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 4.3 t -117.74 126.12 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -93.2 120.17 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 31.4 ttt85 -115.25 150.42 36.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -116.63 164.09 19.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 71' ' ' TRP . 21.5 tp -124.22 143.77 50.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -58.58 149.29 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.581 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -57.92 -53.68 63.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.016 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 111.76 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.84 -173.11 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -127.15 -172.62 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.553 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.13 -49.84 2.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -31.57 40.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.44 -38.24 35.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -68.55 -50.36 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.82 61.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 87.8 t90 -75.01 -35.9 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 3' ' ' LEU . 9.0 mt -65.98 -51.43 58.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 5.0 m -155.52 112.45 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tp -114.21 114.27 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -72.53 133.62 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -144.09 170.09 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' CG ' ' A' ' 49' ' ' PRO . 4.1 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -76.1 -43.57 42.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -50.91 -53.14 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.99 -31.74 65.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.4 -44.35 65.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.85 -37.91 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -51.0 71.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.4 83.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -64.61 -55.76 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.9 88.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.32 -44.23 84.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.02 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.03 39.6 31.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.07 -57.29 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -137.69 9.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.63 154.67 19.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -162.17 -178.23 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -105.04 139.7 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -100.48 134.52 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.15 127.89 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -91.05 125.97 36.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 48' ' ' VAL . 1.2 pt -82.99 -15.84 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.4 p-10 -56.93 145.57 29.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 82.26 -52.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.98 97.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.31 77.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.77 80.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.7 mt -68.8 -34.78 76.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.8 mm-40 -64.58 -46.98 80.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -29.8 65.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.88 64.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.0 m-85 -107.9 -70.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.18 -77.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.5 mm? -89.79 -26.81 20.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.507 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.4 37.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -56.05 -48.2 97.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 69.5 5.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 8.0 t -116.02 126.49 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD11 ' CG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -98.18 120.48 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 1.1 ptt85 -119.06 144.4 46.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.31 9.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 34.6 tp -99.58 146.96 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.0 t0 -56.79 162.44 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.606 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -69.02 -52.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.03 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -154.32 176.81 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.7 m-20 -114.92 -173.57 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.85 -49.54 2.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.07 -19.68 17.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.29 27.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -34.97 42.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.41 -52.05 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.07 64.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 75.9 t90 -64.93 -39.72 93.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.84 -49.5 76.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 96.7 m -156.05 110.66 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp -111.47 105.52 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -66.37 135.38 54.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -154.81 155.16 33.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.578 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 7.2 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.16 -39.46 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -52.76 64.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.17 -29.15 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -50.17 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.33 -35.01 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -51.06 70.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.35 -40.14 77.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -60.23 -56.87 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.48 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.58 -38.38 81.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.23 -5.69 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.63 39.56 31.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -50.77 -55.25 17.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.14 -148.12 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.39 154.92 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -162.84 -179.2 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.16 148.0 27.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.11 139.54 45.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CG2' ' A' ' 4' ' ' THR . 65.0 t -129.84 137.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.03 118.65 36.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.4 pt -70.68 -12.48 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -59.57 172.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.48 35.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.15 94.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.69 84.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -68.74 -37.95 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.7 mm-40 -62.21 -45.49 93.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -30.15 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.02 66.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' LEU . 24.2 m-85 -111.62 -69.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.99 -83.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.9 mm? -79.66 -30.92 41.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -90.44 36.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -55.16 -49.53 91.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 73.84 4.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 7.3 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 126.08 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 7.5 ptm180 -125.84 150.63 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.594 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -110.67 166.34 10.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -105.93 143.05 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -55.07 155.25 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.583 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -59.79 -53.74 62.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.64 -173.71 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.5 m-20 -128.49 -173.88 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.8 -49.67 2.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.75 15.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -33.28 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -79.06 -40.25 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.13 -46.71 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.78 -32.96 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.594 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 77.4 t90 -75.08 -39.83 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.8 mm? -52.08 -53.88 37.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.7 m -155.75 107.94 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -109.04 101.54 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 98.1 m-85 -65.24 133.27 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -140.53 168.45 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.563 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 9.0 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -74.23 -35.54 63.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -56.44 -40.06 74.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.63 -26.95 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -51.06 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.95 -37.39 41.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.94 -50.83 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.96 80.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.16 -55.76 29.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.92 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -56.96 -43.92 82.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.3 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.29 39.72 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -49.01 -44.81 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.53 -137.66 14.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 154.47 17.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -162.44 -175.0 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.01 143.38 40.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.89 139.58 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -133.17 132.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -103.31 119.7 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -71.53 -15.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.8 p-10 -56.72 140.48 47.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.6 t0 81.95 -53.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.03 102.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.14 74.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.03 71.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.9 -34.93 78.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.77 -47.65 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -28.99 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.63 65.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' LEU . 59.5 m-85 -110.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 66.14 -71.75 0.14 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -93.76 -29.75 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.11 37.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 t -53.26 -48.67 91.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.03 74.56 3.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 12.0 t -121.83 124.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.16 127.15 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -128.05 151.04 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -106.65 168.34 8.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD13 ' CG ' ' A' ' 71' ' ' TRP . 20.3 tp -122.42 146.92 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -61.3 141.81 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -45.7 -53.4 20.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 107.979 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 111.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.43 -173.11 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.458 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -128.29 -173.23 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.548 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.04 -49.89 2.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -22.45 14.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -32.49 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -79.45 -39.48 32.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -48.06 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -30.66 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.7 t90 -74.67 -38.62 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -47.47 85.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.475 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 36.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -155.09 114.95 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.07 101.04 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.584 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 79.7 m-85 -65.83 134.26 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.26 160.11 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 49' ' ' PRO . 3.0 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 t -68.36 -43.0 78.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -53.36 -43.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.9 -38.56 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.87 84.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.01 -38.79 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.83 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.98 74.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.97 -58.73 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -46.68 74.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.33 -42.94 82.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -10.18 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 39.76 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.42 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.76 -141.1 13.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.58 154.43 20.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -161.12 -172.87 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.31 153.23 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -117.89 144.52 45.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -137.4 132.21 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -93.59 130.27 39.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 48' ' ' VAL . 1.1 pt -85.23 -19.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.5 t0 -55.82 141.56 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 11.4 t0 81.84 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.19 94.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.48 75.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.86 83.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.85 -33.74 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -66.04 -47.28 74.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -30.1 64.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.89 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.584 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 14.4 m-85 -115.08 -73.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.2 -74.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -90.08 -31.79 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -89.76 36.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -51.64 -49.1 84.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 74.4 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.6 t -115.65 125.6 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -92.29 114.26 26.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' N ' HD11 ' A' ' 51' ' ' LEU . 2.5 ttt180 -111.26 151.13 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.94 168.77 7.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 71' ' ' TRP . 22.9 tp -124.64 145.08 49.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 1.2 t0 -58.49 152.19 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -61.02 -53.07 67.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.994 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.65 -175.63 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -124.97 -172.85 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.38 -49.72 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.0 -21.67 15.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -32.91 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.38 -39.35 32.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -48.0 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.54 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.401 ' CD1' HD12 ' A' ' 59' ' ' LEU . 82.6 t90 -74.44 -40.07 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.047 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.44 -52.27 58.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.412 ' CG2' HG23 ' A' ' 32' ' ' VAL . 46.3 m -148.81 106.84 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -106.38 121.1 43.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.446 ' CE1' HG11 ' A' ' 32' ' ' VAL . 62.1 m-85 -81.89 139.36 34.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.429 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 15.1 pt20 -135.57 165.16 26.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.531 HD12 ' CZ2' ' A' ' 61' ' ' TRP . 12.1 tp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.03 -35.92 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.33 -54.68 28.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.92 -24.87 62.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.52 -35.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -51.04 71.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.85 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 26' ' ' ALA . 2.4 mt -59.43 -58.69 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.1 75.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.81 -40.81 80.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -1.77 32.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.6 39.64 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -51.11 -68.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.4 -136.41 5.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.71 154.39 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -162.15 179.3 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -114.32 147.14 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -104.09 134.93 46.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 6' ' ' TYR . 87.2 t -126.39 136.78 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -102.96 117.79 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 48' ' ' VAL . 1.5 pt -71.27 -8.33 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -80.41 66.81 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -177.46 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.54 109.26 20.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.62 69.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.02 86.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -72.54 -32.24 65.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.9 mm-40 -67.43 -47.6 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -29.25 62.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.73 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 32.6 m-85 -106.69 -70.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 65.13 -72.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.4 -24.71 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.63 37.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.3 t -56.34 -45.55 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.96 67.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 10.4 t -116.66 124.76 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.36 119.13 31.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -107.75 150.67 26.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -119.68 162.43 32.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -105.75 146.27 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 t0 -63.45 148.8 47.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -56.12 -54.26 54.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 107.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -152.85 -171.36 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -131.14 -172.96 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.553 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.99 -49.99 2.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.01 -24.33 12.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -32.54 42.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.23 -39.84 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.8 -49.11 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.52 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.459 ' CD2' ' HG ' ' A' ' 59' ' ' LEU . 66.2 t90 -71.32 -39.07 71.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.2 -50.87 64.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.4 m -139.11 106.61 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.92 102.41 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 71.2 m-85 -66.11 143.09 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -173.15 151.83 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.37 -39.3 68.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.6 -37.77 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.05 -39.33 90.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.82 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.23 -35.15 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -50.19 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.66 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.86 -59.23 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.46 72.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.47 -50.68 71.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -13.47 62.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 38.56 7.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.17 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.71 -137.08 8.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.65 154.55 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.11 -179.91 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -112.29 142.9 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.35 142.19 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.17 134.34 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -100.45 135.32 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 pt -89.04 -15.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.4 166.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 41.62 58.82 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.45 94.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.59 77.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.89 -45.98 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -30.92 65.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' GLY . 22.9 mt-10 -67.18 -49.47 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -29.43 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.29 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 62.0 m-85 -116.56 -66.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 48' ' ' VAL . . . 63.05 -76.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.2 mm? -95.59 -22.84 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -93.07 38.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.632 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 t -64.47 -44.85 76.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 60.82 5.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 22.5 t -109.52 124.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.65 118.27 25.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 9.7 ttt180 -111.92 148.99 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -118.04 163.18 25.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE2' ' CG1' ' A' ' 50' ' ' VAL . 5.1 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.6 tp -117.07 143.67 45.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 44.1 p30 -52.85 161.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -70.06 -54.8 9.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.004 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.72 -173.14 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.4 m-20 -125.29 -172.27 2.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.33 -49.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.05 -21.87 15.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.0 27.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 -39.09 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -71.89 -49.07 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.94 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 66.1 t90 -71.19 -37.77 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 108.024 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.02 -49.66 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t0 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.4 m -155.08 113.2 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.48 102.33 10.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -64.07 134.54 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -166.39 148.42 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.6 m -75.38 -47.56 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -34.9 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -31.21 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 -48.0 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.66 -37.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -51.03 71.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.39 80.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 26' ' ' ALA . 4.2 mt -62.18 -57.93 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.32 -44.44 79.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.238 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.49 61.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.02 40.02 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -53.06 -52.71 57.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.7 -140.58 11.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 156.07 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.47 179.76 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -112.53 140.64 47.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -92.85 129.84 38.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -125.59 127.1 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.55 122.07 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 48' ' ' VAL . 1.1 pt -75.94 -17.82 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.48 78.26 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.05 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.94 96.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.6 -36.72 25.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.78 84.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.94 -35.56 69.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.37 -46.15 81.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -29.0 63.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.54 59.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 12.8 m-85 -106.37 -74.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.17 -74.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.6 mm? -90.15 -28.45 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -92.38 38.3 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -52.41 -49.3 86.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.08 74.26 4.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 4.2 t -116.61 126.67 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.36 119.14 33.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -115.43 163.76 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.8 168.77 13.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 tp -125.16 146.66 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.57 157.73 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.608 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -63.71 -54.81 39.1 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 108.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 116.34 4.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -155.02 177.52 11.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -115.27 -172.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.556 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -78.03 -49.59 1.94 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -31.52 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -40.69 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -45.84 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -31.97 60.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.501 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 77.6 t90 -75.53 -40.11 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -51.61 -53.65 36.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.465 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 73.4 m -156.0 115.72 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -110.85 108.91 18.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -69.76 128.63 37.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.51 152.2 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -70.32 -39.95 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -57.67 -37.67 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.12 -32.82 74.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.32 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.11 -35.3 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.39 74.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.16 80.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 26' ' ' ALA . 3.9 mt -59.27 -57.22 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.56 71.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.32 -49.08 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.05 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.55 38.94 7.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -47.71 -62.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.16 -136.86 8.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.68 154.7 17.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -161.64 -177.8 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -116.4 140.93 48.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -93.26 144.6 25.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -136.24 128.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.35 118.14 32.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.2 pt -68.48 -16.4 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.92 169.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 45.44 41.64 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -167.32 97.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.44 75.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.24 73.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.34 -38.91 88.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 6.3 mm-40 -61.03 -46.73 89.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -30.35 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -44.2 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LEU . 27.1 m-85 -109.94 -71.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 57.47 -87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.1 mm? -72.29 -35.42 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.57 35.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.2 -50.46 75.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.08 4.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.3 t -115.57 125.84 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -89.46 114.22 25.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -111.83 166.15 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -130.74 163.58 47.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.1 tp -134.34 145.73 49.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.05 160.79 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.14 -54.19 21.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 116.29 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -152.48 -172.41 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.4 m-20 -126.72 -172.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.1 -49.73 2.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.99 -21.64 15.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -32.81 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -39.42 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -67.42 -48.96 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 85.9 t90 -74.43 -37.64 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -43.73 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.459 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 27.6 m -146.37 113.17 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -109.51 104.9 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -63.94 137.82 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -174.67 142.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 9.0 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.17 -38.28 69.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -56.65 -51.33 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.12 -28.01 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -50.4 44.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.51 -35.0 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -51.22 70.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.71 80.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -59.59 -52.86 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.68 93.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.62 -40.26 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.02 -12.53 59.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 39.98 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -52.37 -58.77 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.34 -136.08 8.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 154.95 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.01 178.27 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -109.75 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 p -89.02 125.44 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -119.6 134.25 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.07 124.83 47.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 48' ' ' VAL . 1.4 pt -78.49 -17.5 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.4 p-10 -53.89 146.51 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.3 t0 81.63 -53.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.8 98.84 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.64 81.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.5 -50.34 74.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.2 -35.99 80.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.15 -47.2 83.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.97 68.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.49 -44.86 66.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 30.8 m-85 -108.13 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.81 -78.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.4 mm? -85.45 -27.23 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -91.92 36.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -53.83 -49.76 87.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.96 73.04 4.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 6.2 t -118.33 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.38 118.89 32.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -119.19 160.37 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.574 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -122.36 171.42 6.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 71' ' ' TRP . 25.5 tp -122.0 144.51 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -56.02 145.67 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -54.92 -58.55 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.025 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 110.97 3.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.85 -171.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.2 m-20 -127.97 -174.36 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.24 -49.46 3.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -21.55 15.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -33.27 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.35 -39.22 33.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.93 -48.73 65.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.0 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 76.4 t90 -74.82 -36.46 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.08 -44.57 94.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 72' ' ' LEU . 7.9 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 15.8 m -155.05 119.23 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -117.64 102.62 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.594 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 56.0 m-85 -63.92 135.16 56.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 19.3 pt20 -143.26 169.12 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.62 ' CD2' ' CE2' ' A' ' 61' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.2 m -51.89 -42.37 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -48.89 63.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.48 -29.86 70.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -45.35 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.17 -35.02 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -46.48 87.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.23 88.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -61.47 -56.33 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -46.32 75.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.08 -45.64 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -10.64 60.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 39.11 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -51.8 -64.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.89 -134.93 6.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.64 154.59 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.37 177.29 11.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -110.71 132.98 53.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -91.45 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -106.79 130.54 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -100.49 123.33 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.8 pt -79.42 -20.03 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -51.66 141.65 16.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 83.15 -50.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.29 101.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.5 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.07 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.82 -39.66 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.5 mm-40 -58.77 -44.48 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -28.84 62.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -45.64 48.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 54.6 m-85 -108.43 -64.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.37 -83.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.6 mm? -86.54 -25.64 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.08 36.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.2 t -54.47 -46.6 99.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.94 74.47 3.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 10.1 t -123.76 124.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -97.36 119.99 36.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 10.6 ptm180 -117.22 150.3 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.538 ' OD1' ' CZ3' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -111.28 170.22 5.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.1 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.56 146.03 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -56.91 143.31 38.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -47.07 -53.68 25.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.98 112.39 3.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.47 -171.34 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.9 m-20 -130.42 -173.94 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.554 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.66 -49.79 2.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.98 -21.55 15.79 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 -33.41 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 63' ' ' PHE . 1.1 tp -79.26 -39.37 33.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -68.49 -48.93 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.13 65.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' ' OD1' ' A' ' 53' ' ' ASP . 76.9 t90 -73.81 -37.97 64.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 3' ' ' LEU . 48.5 mt -61.48 -45.27 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.457 ' CD1' HD23 ' A' ' 51' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.0 m -149.64 137.32 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.23 104.34 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -64.33 137.76 58.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -144.23 169.96 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 61' ' ' TRP . 3.9 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.94 -44.95 37.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -51.41 -52.62 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -59.75 -29.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.65 -50.41 44.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.3 -39.26 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -51.02 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.38 75.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -60.66 -56.62 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.67 74.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.26 -42.73 82.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.71 -1.74 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 50.73 39.66 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -48.12 -67.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.92 -135.61 8.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.42 154.09 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -166.47 -171.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -116.06 153.49 31.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.11 140.0 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.95 137.78 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.9 116.93 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 4.0 pt -70.75 -13.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.82 162.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.7 t0 45.71 51.72 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -172.75 98.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.27 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.94 74.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.75 -39.13 87.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.2 mm-40 -61.23 -44.96 96.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -29.0 62.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.82 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.362 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.2 m-85 -112.05 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.85 -89.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -73.55 -28.6 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.98 34.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -58.33 -49.93 90.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 64.26 6.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 130.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -96.41 123.05 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -124.64 146.45 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.613 ' OD2' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -114.2 163.94 17.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 52' ' ' ARG . 54.3 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 40.3 tp -128.78 146.62 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -63.74 133.9 54.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -43.82 -53.23 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -140.52 -171.4 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.2 m-20 -126.42 -172.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.548 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.12 -50.15 2.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.84 15.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.809 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -79.41 -39.92 31.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -46.89 73.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.94 67.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.613 ' CZ2' ' OD2' ' A' ' 53' ' ' ASP . 67.4 t90 -72.78 -33.8 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.78 -50.06 46.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 m -136.12 109.59 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -111.41 102.26 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 42.0 m-85 -62.84 134.19 55.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -165.88 148.92 7.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD22 ' CG ' ' A' ' 49' ' ' PRO . 6.4 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 t -74.39 -43.06 58.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.13 -45.95 61.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.77 -26.68 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 -47.45 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.53 -37.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.55 72.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.6 84.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -57.42 11.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.17 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -39.95 82.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.45 29.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.21 40.1 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -57.71 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.01 -138.72 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.09 154.98 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.61 179.2 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -111.47 140.81 45.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.72 139.89 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -130.02 133.92 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.43 118.84 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.5 pt -71.43 -13.5 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -49.93 165.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.1 51.33 7.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -173.59 99.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.46 71.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.43 -49.75 76.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 37' ' ' ASP . 31.5 mt -67.02 -36.2 81.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.4 mm-40 -65.35 -44.74 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -30.74 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.41 58.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.453 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 40.1 m-85 -110.97 -66.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.46 -89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -70.15 -33.44 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -92.03 32.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -46.63 -50.0 43.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 2.7 t -116.21 127.28 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 130.24 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -130.91 146.81 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -115.32 171.23 4.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 17.4 tp -124.79 146.12 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.4 149.2 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.601 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -56.35 -52.76 70.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 108.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.07 111.92 3.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.42 -175.58 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.8 m-20 -127.3 -173.01 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.44 -50.14 2.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.5 Cg_endo -74.97 -21.99 15.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -32.17 29.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.27 -39.85 31.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -68.51 -49.43 59.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -31.47 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 67.5 t90 -73.87 -41.53 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.02 -49.6 77.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.3 m -155.88 110.69 2.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.31 103.75 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 66.9 m-85 -64.13 131.5 47.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -164.83 154.63 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 4.9 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.28 -44.99 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.268 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -49.03 61.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.91 -35.7 75.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.45 93.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.88 -34.98 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -51.1 71.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.69 69.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -57.71 -55.82 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.12 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.49 -10.1 59.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.54 40.35 23.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -56.27 -61.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.56 -138.66 10.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.15 154.74 17.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -157.36 179.06 9.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -116.92 142.04 47.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.95 142.87 26.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.92 128.47 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -91.43 124.96 36.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -74.48 -15.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.2 p-10 -58.23 148.43 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 8.8 t0 82.05 -53.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.4 82.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.18 -39.04 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.22 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.8 -32.66 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.2 mm-40 -66.62 -47.44 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -29.48 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.27 61.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.505 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 32.8 m-85 -104.95 -71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.07 -81.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.9 mm? -81.88 -30.98 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.3 36.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.54 -49.99 79.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 74.03 4.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.8 t -117.37 125.51 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -85.8 114.89 23.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -111.59 145.38 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -110.13 165.75 12.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 13.1 tp -135.87 146.79 47.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -65.41 142.86 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.548 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -47.39 -53.59 28.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 107.992 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 113.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.64 -171.31 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -130.58 -175.46 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.18 -49.58 4.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -32.38 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -39.78 31.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -67.89 -48.56 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.58 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 67.2 t90 -74.12 -32.91 63.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.3 -44.42 87.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 49.6 m -152.4 111.13 3.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.67 116.66 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.2 133.12 40.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.71 142.93 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.7 p -58.02 -23.24 53.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 16' ' ' GLN . 9.0 p-10 -50.25 -50.69 49.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' ASP . 3.2 mt-30 -64.41 -33.51 76.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.75 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.19 -34.99 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -50.99 68.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.42 79.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -61.51 -56.98 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.86 74.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.39 -47.48 78.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -10.31 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 59.45 39.98 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -54.08 -60.97 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.96 -136.64 8.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.43 155.92 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -155.66 178.35 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -114.33 136.92 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.0 p -88.36 135.28 33.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.6 t -127.84 133.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.37 119.4 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.444 HD12 ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -78.3 -16.28 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.73 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 166.96 -35.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.9 97.01 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.8 -35.02 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.56 -32.96 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 2.8 mm-40 -67.03 -46.21 75.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -29.2 65.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.38 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' LEU . 17.8 m-85 -103.44 -70.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 54.93 -86.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.4 mm? -75.71 -31.66 59.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.01 35.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -49.22 -49.29 70.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 71.02 5.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 2.8 t -114.79 126.41 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.53 117.19 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.71 165.04 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.596 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -121.17 168.02 11.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' N ' ' NH2' ' A' ' 52' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 20.5 tp -134.8 143.18 46.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.1 t0 -54.53 160.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -66.46 -52.87 33.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.95 111.95 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.14 -177.75 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -123.22 -169.99 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -78.44 -50.75 1.61 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.01 -21.38 15.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -32.36 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.33 -38.76 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -71.55 -48.23 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.35 60.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 54.7 t90 -69.57 -38.86 77.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.11 -52.36 59.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.438 ' CD2' ' CG ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 57.9 m -147.57 105.1 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -114.9 107.4 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -65.41 135.99 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -149.5 164.12 35.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 8.8 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.8 m -76.11 -46.95 26.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 108.289 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -51.05 54.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.45 -32.75 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.1 -50.84 29.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.76 -35.49 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -50.44 73.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.65 80.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -62.33 -57.7 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.46 -49.41 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -10.27 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 39.99 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -48.72 -62.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.3 -136.54 8.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.09 157.35 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -166.41 -179.13 4.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -102.27 134.85 44.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -98.91 129.81 45.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -118.56 136.81 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -100.51 123.95 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' CG2' ' A' ' 48' ' ' VAL . 1.6 pt -77.76 -13.55 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -58.6 143.62 45.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.6 t0 80.42 -53.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' CB ' HD13 ' A' ' 40' ' ' LEU . 5.7 m-20 -68.78 84.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.68 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.2 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 37' ' ' ASP . 35.5 mt -70.2 -31.2 68.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.2 mt-10 -67.25 -49.38 64.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -28.97 62.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.1 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' LEU . 35.3 m-85 -108.42 -67.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 57.22 -84.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -78.52 -28.34 46.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.499 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.07 35.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -55.25 -47.97 97.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.96 67.73 5.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.5 t -111.95 135.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.2 mt -107.54 122.67 47.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -130.84 143.02 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' CG ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -129.8 171.02 9.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.059 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 40.8 tp -123.0 147.04 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -52.44 161.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.43 -51.71 31.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -75.01 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -159.49 175.33 13.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -113.88 -174.07 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.64 -49.48 2.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -33.07 31.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.501 HD12 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.32 -36.65 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -47.98 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.8 67.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 78.5 t90 -70.24 -40.62 74.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 107.98 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.34 -48.21 82.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 41.5 m -152.78 105.66 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -102.76 105.71 16.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -63.79 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -168.35 153.91 6.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.4 ptt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD13 ' CZ2' ' A' ' 61' ' ' TRP . 9.9 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.7 t -76.36 -44.93 34.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.87 -52.45 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.97 -31.67 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.73 -51.01 24.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -36.49 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -50.96 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.64 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 26' ' ' ALA . 3.7 mt -62.22 -59.2 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.6 74.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.02 -41.06 82.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.55 -10.57 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.67 40.3 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -52.69 -40.02 62.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -138.1 12.51 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.21 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -157.83 -178.17 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -117.52 145.79 43.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.48 141.86 30.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.24 138.88 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.87 128.92 54.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.77 -0.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -85.66 49.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -167.96 32.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.68 96.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.37 -32.13 10.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.26 86.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.13 -32.3 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.3 mm-40 -68.04 -45.43 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.5 63.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LEU . 15.1 m-85 -112.65 -72.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 63.84 -74.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.7 mm? -93.49 -25.02 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.803 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -92.36 39.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.5 t -56.41 -44.6 99.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.3 t -111.37 138.23 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.18 130.85 54.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 2.3 ptm180 -128.68 154.5 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -120.14 166.19 15.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -124.35 144.19 50.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -64.33 134.02 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.602 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -42.85 -52.47 11.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.03 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -144.54 -177.09 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 m-20 -124.67 -172.64 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.551 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.06 -50.07 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.98 -26.24 11.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -31.01 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -40.2 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -68.89 -50.41 49.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.43 -31.99 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 69.8 t90 -72.0 -38.37 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 107.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.22 -53.11 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 20.2 m -156.13 107.01 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tp -103.27 105.12 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -64.71 134.99 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.474 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 1.4 pp0? -170.13 141.81 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.596 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 4.5 tp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' CB ' ' A' ' 7' ' ' GLN . 41.1 t -75.38 -40.49 57.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -50.42 74.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.42 -28.73 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.93 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.99 -35.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.09 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.45 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 1.7 mt -60.18 -56.62 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.97 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.6 -42.39 83.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.17 -9.21 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 40.06 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -51.79 -56.82 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.73 -139.19 11.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.27 154.46 20.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -161.09 -174.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -118.52 144.13 46.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.0 139.93 37.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.86 138.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -102.68 123.79 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.1 pt -77.52 -14.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.4 149.59 20.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.1 t0 81.58 -53.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.75 102.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.44 69.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.54 -38.31 86.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.5 mm-40 -60.48 -45.49 93.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -29.22 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.76 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LEU . 47.7 m-85 -110.54 -72.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.74 -72.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -93.97 -24.56 17.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -93.82 39.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.04 -50.14 89.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.1 Cg_endo -74.99 74.13 4.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 9.6 t -117.05 130.38 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -94.44 114.38 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.53 162.78 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.608 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -129.12 166.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 71' ' ' TRP . 20.5 tp -123.59 147.18 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -57.86 144.24 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.596 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.6 -58.41 14.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 105.89 2.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -141.73 -171.54 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -126.64 -172.31 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.46 -50.0 2.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -74.98 -21.32 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -31.96 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.42 -39.36 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -70.71 -49.64 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.47 -30.64 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.608 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.3 t90 -74.43 -37.92 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.03 -46.14 88.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.462 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 91.4 m -156.13 113.73 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.57 120.81 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 39.5 m-85 -80.52 135.63 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.633 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 29.6 pt20 -127.93 169.64 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.695 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 13.2 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -69.5 -27.25 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.88 -57.46 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.72 -23.27 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 -50.24 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.28 -36.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.85 -51.02 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.14 74.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -59.15 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.68 -45.45 77.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.38 -43.19 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.54 -1.02 28.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 50.0 39.95 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.08 -59.99 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.13 -141.85 12.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.88 155.27 17.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -163.6 179.18 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -113.97 137.59 51.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' A' ' 7' ' ' GLN . 2.1 m -104.22 133.82 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.0 125.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 7' ' ' GLN . 78.6 m-85 -84.4 125.82 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 48' ' ' VAL . 3.5 pt -79.85 -15.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 22.7 t0 -53.98 140.59 30.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.2 t0 82.14 -53.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.55 99.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -30.57 70.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.07 76.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.33 -32.84 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.7 mm-40 -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -28.55 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -43.15 66.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 6' ' ' TYR . 41.6 m-85 -114.31 -66.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.59 -83.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.8 mm? -82.62 -26.65 32.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.62 35.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -57.07 -49.36 94.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.12 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.5 125.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -94.84 114.78 26.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -115.16 163.94 14.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.5 169.63 9.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.965 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 71' ' ' TRP . 17.9 tp -127.5 146.71 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.27 151.1 20.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.695 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.15 -54.39 50.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.051 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -150.6 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.486 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 m-20 -134.56 177.58 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -68.88 -49.6 26.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -74.99 -24.44 12.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -32.86 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.1 tp -79.32 -35.97 40.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -49.31 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.6 -30.28 54.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.508 ' CD1' HD12 ' A' ' 59' ' ' LEU . 63.6 t90 -73.15 -43.65 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.7 mt -58.58 -51.12 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 28.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.8 m -155.78 105.76 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.77 111.69 23.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.92 136.15 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -164.61 142.79 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 12.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.98 -37.9 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.31 -54.87 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -22.94 59.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -50.2 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.29 -35.93 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.9 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.45 79.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 1.2 mt -64.0 -57.74 8.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.97 -44.16 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -56.96 -43.77 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 39.96 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -49.34 -49.26 45.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.51 -139.64 11.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.76 154.97 17.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -162.17 -177.53 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -108.83 132.94 53.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -101.43 132.46 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.56 136.27 58.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -96.46 120.76 37.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -78.21 -20.96 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.3 p30 -51.1 145.79 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.5 t0 81.93 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.44 91.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.46 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.53 83.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.18 -33.29 71.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.0 mm-40 -65.71 -46.25 79.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -29.02 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.83 -43.19 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LEU . 29.1 m-85 -108.05 -69.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.01 -81.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -83.0 -29.17 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.18 36.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.52 -49.34 94.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB2' ' CE3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.03 70.93 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 9.9 t -117.18 134.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.8 135.2 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.44 141.74 41.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.68 161.1 55.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 71' ' ' TRP . 20.3 tp -112.64 147.33 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -50.17 159.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -64.58 -53.0 48.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -159.25 171.6 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -111.75 -174.03 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.73 -49.43 2.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.02 -22.11 15.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -33.09 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -79.42 -39.44 32.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -68.98 -50.14 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.87 -30.89 62.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.562 ' CD1' HD12 ' A' ' 59' ' ' LEU . 83.2 t90 -75.33 -34.42 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.67 -135.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 HD13 ' CD2' ' A' ' 72' ' ' LEU . 33.3 mt -75.55 176.69 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -156.04 110.79 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.56 102.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 85.1 m-85 -68.69 137.31 54.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.15 166.51 23.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.51 173.59 11.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.46 158.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t0 62.83 143.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.48 121.68 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -174.65 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD13 ' CZ2' ' A' ' 61' ' ' TRP . 19.1 tp -67.69 -44.15 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.14 -27.06 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.9 -53.68 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.61 -34.4 69.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.75 -50.31 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.64 -35.97 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -48.56 81.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.09 88.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -62.98 -56.01 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.4 -47.15 76.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.52 -46.55 86.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -11.99 57.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 39.33 13.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -51.46 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.61 -138.03 9.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.86 154.8 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -164.23 -178.92 5.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -113.59 136.93 52.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.36 140.24 35.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.8 t -127.28 130.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -95.25 124.7 39.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.8 pt -82.63 -18.17 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.32 75.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 168.96 -32.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -114.36 106.38 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.87 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.03 77.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.27 -37.91 74.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -61.92 -44.84 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -36.51 76.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.26 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.483 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 24.6 m-85 -100.6 -71.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 61.09 -81.47 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.8 mm? -83.8 -30.66 26.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -90.5 37.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -52.28 -49.71 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.99 73.53 4.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 4.3 t -117.74 126.12 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -93.2 120.17 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 31.4 ttt85 -115.25 150.42 36.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -116.63 164.09 19.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.46 15.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.64 95.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.49 45.82 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 17.4 mtp180 -142.99 166.35 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.5 162.38 33.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 71' ' ' TRP . 21.5 tp -124.22 143.77 50.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -58.58 149.29 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.581 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -57.92 -53.68 63.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.016 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 111.76 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.84 -173.11 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -127.15 -172.62 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.553 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.13 -49.84 2.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -31.57 40.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.44 -38.24 35.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.7 tpt85 -68.55 -50.36 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.82 61.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 87.8 t90 -75.01 -35.9 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' CD2' HD13 ' A' ' 3' ' ' LEU . 9.0 mt -65.98 -51.43 58.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.06 -30.57 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.39 -26.01 11.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.44 165.83 25.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.14 7.67 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -138.17 177.19 8.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.47 0.176 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.88 179.21 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.45 -177.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.445 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 5.0 m -155.52 112.45 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tp -114.21 114.27 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -72.53 133.62 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -144.09 170.09 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -117.29 35.57 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.48 94.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.47 111.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 t -163.68 151.1 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 108.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -70.11 -52.98 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' CG ' ' A' ' 49' ' ' PRO . 4.1 tp -53.94 -39.19 65.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.6 t -76.1 -43.57 42.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -50.91 -53.14 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.99 -31.74 65.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.4 -44.35 65.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.85 -37.91 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -51.0 71.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.4 83.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -64.61 -55.76 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.9 88.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.32 -44.23 84.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.02 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.03 39.6 31.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.07 -57.29 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -137.69 9.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.63 154.67 19.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -162.17 -178.23 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -105.04 139.7 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -100.48 134.52 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.15 127.89 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -91.05 125.97 36.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 48' ' ' VAL . 1.2 pt -82.99 -15.84 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.4 p-10 -56.93 145.57 29.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 82.26 -52.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.98 97.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.31 77.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.77 80.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.7 mt -68.8 -34.78 76.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.8 mm-40 -64.58 -46.98 80.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -29.8 65.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.88 64.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.0 m-85 -107.9 -70.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.18 -77.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.5 mm? -89.79 -26.81 20.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.507 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.4 37.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -56.05 -48.2 97.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 69.5 5.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 8.0 t -116.02 126.49 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD11 ' CG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -98.18 120.48 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 1.1 ptt85 -119.06 144.4 46.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.31 9.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -57.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -115.1 -16.36 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -75.67 -17.28 80.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 23.8 mtp180 80.59 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.99 133.82 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 34.6 tp -99.58 146.96 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.0 t0 -56.79 162.44 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.606 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -69.02 -52.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.03 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -154.32 176.81 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.7 m-20 -114.92 -173.57 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.85 -49.54 2.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.07 -19.68 17.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.29 27.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -34.97 42.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -72.41 -52.05 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.07 64.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 75.9 t90 -64.93 -39.72 93.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.84 -49.5 76.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -68.15 -36.51 79.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -40.52 -34.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.97 64.43 4.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -127.74 -66.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.494 0.187 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 -157.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -175.16 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 96.7 m -156.05 110.66 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp -111.47 105.52 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -66.37 135.38 54.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -154.81 155.16 33.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.83 120.28 5.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 48.9 80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -41.2 114.91 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.89 -59.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -172.58 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.578 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 7.2 tp -48.33 -35.75 12.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.16 -39.46 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -52.76 64.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.17 -29.15 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -50.17 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.33 -35.01 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -51.06 70.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.35 -40.14 77.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -60.23 -56.87 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.48 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.58 -38.38 81.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.23 -5.69 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.63 39.56 31.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -50.77 -55.25 17.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.14 -148.12 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.39 154.92 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -162.84 -179.2 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.16 148.0 27.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.11 139.54 45.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CG2' ' A' ' 4' ' ' THR . 65.0 t -129.84 137.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.03 118.65 36.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.4 pt -70.68 -12.48 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -59.57 172.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.48 35.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.15 94.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.69 84.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -68.74 -37.95 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.7 mm-40 -62.21 -45.49 93.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -30.15 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.02 66.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' LEU . 24.2 m-85 -111.62 -69.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.99 -83.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.9 mm? -79.66 -30.92 41.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -90.44 36.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -55.16 -49.53 91.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 73.84 4.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 7.3 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.75 126.08 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 7.5 ptm180 -125.84 150.63 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.594 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -110.67 166.34 10.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.29 9.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.452 ' HG3' ' CD ' ' A' ' 76' ' ' PRO . 0.9 OUTLIER -58.34 -40.01 81.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.45 41.58 0.35 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -141.08 155.45 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.767 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.55 148.8 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.7 tp -105.93 143.05 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -55.07 155.25 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.583 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -59.79 -53.74 62.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.64 -173.71 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.5 m-20 -128.49 -173.88 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.8 -49.67 2.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.75 15.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -33.28 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -79.06 -40.25 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.13 -46.71 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.78 -32.96 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.594 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 77.4 t90 -75.08 -39.83 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.8 mm? -52.08 -53.88 37.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 75' ' ' ALA . 1.5 m-20 -60.08 -42.09 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.87 -25.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 73' ' ' ASP . . . -123.12 165.8 20.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.452 ' CD ' ' HG3' ' A' ' 55' ' ' MET . 18.1 Cg_endo -75.07 178.63 7.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.05 166.53 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttm . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.491 0.186 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.37 -166.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 mt -68.65 174.66 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.7 m -155.75 107.94 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -109.04 101.54 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 98.1 m-85 -65.24 133.27 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -140.53 168.45 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.94 178.21 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -46.67 -65.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -48.73 115.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -111.1 113.18 25.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -167.73 -66.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.592 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.563 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 9.0 tp -69.79 -34.23 73.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -74.23 -35.54 63.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -56.44 -40.06 74.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.63 -26.95 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -51.06 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.95 -37.39 41.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.94 -50.83 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.96 80.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.16 -55.76 29.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.92 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -56.96 -43.92 82.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.3 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.29 39.72 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -49.01 -44.81 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.53 -137.66 14.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 154.47 17.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -162.44 -175.0 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.01 143.38 40.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.89 139.58 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -133.17 132.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -103.31 119.7 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -71.53 -15.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.8 p-10 -56.72 140.48 47.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.6 t0 81.95 -53.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.03 102.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.14 74.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.03 71.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.9 -34.93 78.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.77 -47.65 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -28.99 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.63 65.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' LEU . 59.5 m-85 -110.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 66.14 -71.75 0.14 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -93.76 -29.75 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.11 37.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 t -53.26 -48.67 91.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.1 Cg_endo -75.03 74.56 3.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 12.0 t -121.83 124.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.16 127.15 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -128.05 151.04 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -106.65 168.34 8.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.4 10.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -44.37 93.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.81 45.17 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -141.66 157.09 45.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.769 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.86 165.04 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD13 ' CG ' ' A' ' 71' ' ' TRP . 20.3 tp -122.42 146.92 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -61.3 141.81 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -45.7 -53.4 20.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 107.979 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 111.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.43 -173.11 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.458 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -128.29 -173.23 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.548 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.04 -49.89 2.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -22.45 14.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -32.49 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -79.45 -39.48 32.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -48.06 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -30.66 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.7 t90 -74.67 -38.62 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.9 mt -61.66 -47.47 85.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -66.19 -34.66 78.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.94 -22.55 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.73 138.07 1.05 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 77' ' ' HIS . 18.3 Cg_endo -75.0 171.18 18.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.4 OUTLIER 38.46 89.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.491 0.186 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.58 -169.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.475 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 36.1 mt -60.42 177.01 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -155.09 114.95 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.07 101.04 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.584 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 79.7 m-85 -65.83 134.26 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -167.26 160.11 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.6 107.07 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.07 147.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 125.59 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.63 -66.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.15 -59.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 49' ' ' PRO . 3.0 tp -45.06 -45.75 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 t -68.36 -43.0 78.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -53.36 -43.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.9 -38.56 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.87 84.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.01 -38.79 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.83 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.98 74.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt -58.97 -58.73 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -46.68 74.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.33 -42.94 82.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -10.18 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 39.76 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.42 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.76 -141.1 13.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.58 154.43 20.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -161.12 -172.87 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.31 153.23 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -117.89 144.52 45.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -137.4 132.21 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -93.59 130.27 39.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 48' ' ' VAL . 1.1 pt -85.23 -19.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.5 t0 -55.82 141.56 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 11.4 t0 81.84 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.19 94.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.48 75.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.86 83.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.85 -33.74 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -66.04 -47.28 74.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -30.1 64.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.89 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.584 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 14.4 m-85 -115.08 -73.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.2 -74.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -90.08 -31.79 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -89.76 36.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -51.64 -49.1 84.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 74.4 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.6 t -115.65 125.6 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -92.29 114.26 26.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' N ' HD11 ' A' ' 51' ' ' LEU . 2.5 ttt180 -111.26 151.13 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.94 168.77 7.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.25 15.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.479 ' SD ' ' CD ' ' A' ' 76' ' ' PRO . 13.1 mtp -70.4 -45.59 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.36 49.65 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.78 154.51 50.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -128.37 153.22 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 71' ' ' TRP . 22.9 tp -124.64 145.08 49.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 1.2 t0 -58.49 152.19 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -61.02 -53.07 67.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.994 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.65 -175.63 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -124.97 -172.85 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.38 -49.72 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.0 -21.67 15.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -32.91 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.38 -39.35 32.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -48.0 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.54 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.401 ' CD1' HD12 ' A' ' 59' ' ' LEU . 82.6 t90 -74.44 -40.07 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.047 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.44 -52.27 58.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.26 -38.1 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.61 169.56 10.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.479 ' CD ' ' SD ' ' A' ' 55' ' ' MET . 18.4 Cg_endo -75.01 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -138.84 177.35 7.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.496 0.189 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.76 171.44 14.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mt -115.4 -179.45 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.412 ' CG2' HG23 ' A' ' 32' ' ' VAL . 46.3 m -148.81 106.84 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tp -106.38 121.1 43.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.446 ' CE1' HG11 ' A' ' 32' ' ' VAL . 62.1 m-85 -81.89 139.36 34.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.429 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 15.1 pt20 -135.57 165.16 26.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -123.22 35.06 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 3.6 t0 78.06 -56.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' ASP . 7.5 t0 -40.48 119.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -94.74 71.43 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -150.8 -78.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.531 HD12 ' CZ2' ' A' ' 61' ' ' TRP . 12.1 tp -56.29 -45.52 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.03 -35.92 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.33 -54.68 28.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.92 -24.87 62.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.78 -46.86 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.52 -35.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -51.04 71.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.85 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 26' ' ' ALA . 2.4 mt -59.43 -58.69 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.1 75.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.81 -40.81 80.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -1.77 32.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.6 39.64 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -51.11 -68.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.4 -136.41 5.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.71 154.39 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -162.15 179.3 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -114.32 147.14 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -104.09 134.93 46.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 6' ' ' TYR . 87.2 t -126.39 136.78 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -102.96 117.79 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 48' ' ' VAL . 1.5 pt -71.27 -8.33 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -80.41 66.81 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -177.46 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.54 109.26 20.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.62 69.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.02 86.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -72.54 -32.24 65.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.9 mm-40 -67.43 -47.6 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -29.25 62.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.73 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 32.6 m-85 -106.69 -70.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 65.13 -72.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.4 -24.71 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.63 37.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.3 t -56.34 -45.55 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.96 67.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 10.4 t -116.66 124.76 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.36 119.13 31.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -107.75 150.67 26.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -119.68 162.43 32.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -18.57 18.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.59 -39.71 84.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.0 44.6 0.4 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.46 ' HD2' ' CG ' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -138.78 170.34 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -141.59 143.27 33.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' CD2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -105.75 146.27 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 t0 -63.45 148.8 47.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -56.12 -54.26 54.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 107.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -152.85 -171.36 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -131.14 -172.96 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.553 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.99 -49.99 2.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.01 -24.33 12.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -32.54 42.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.23 -39.84 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -69.8 -49.11 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.52 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.459 ' CD2' ' HG ' ' A' ' 59' ' ' LEU . 66.2 t90 -71.32 -39.07 71.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.2 -50.87 64.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -41.49 -33.48 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 39.67 86.45 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.46 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 18.4 Cg_endo -74.99 171.25 18.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -66.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.464 0.174 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.75 137.04 37.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.72 -178.03 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.4 m -139.11 106.61 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.92 102.41 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 71.2 m-85 -66.11 143.09 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -173.15 151.83 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.03 90.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.31 117.48 14.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -108.81 -45.47 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.6 t-80 -167.23 -60.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 1.0 OUTLIER -44.92 -43.08 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.37 -39.3 68.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' HIS . 4.1 t70 -54.6 -37.77 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.05 -39.33 90.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.82 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.23 -35.15 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -50.19 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.66 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.86 -59.23 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.46 72.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.47 -50.68 71.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -13.47 62.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 38.56 7.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.17 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.71 -137.08 8.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.65 154.55 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.11 -179.91 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -112.29 142.9 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.35 142.19 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.17 134.34 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -100.45 135.32 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 pt -89.04 -15.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.4 166.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 41.62 58.82 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.45 94.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.59 77.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.89 -45.98 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -30.92 65.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' GLY . 22.9 mt-10 -67.18 -49.47 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -29.43 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.29 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 62.0 m-85 -116.56 -66.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 48' ' ' VAL . . . 63.05 -76.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.2 mm? -95.59 -22.84 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.4 OUTLIER -93.07 38.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.632 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.5 t -64.47 -44.85 76.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 60.82 5.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 22.5 t -109.52 124.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.65 118.27 25.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 9.7 ttt180 -111.92 148.99 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -118.04 163.18 25.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.01 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.22 -44.92 90.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.15 49.3 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 8.4 mtm180 -141.18 161.42 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE2' ' CG1' ' A' ' 50' ' ' VAL . 5.1 mt-10 -135.95 145.1 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.6 tp -117.07 143.67 45.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 44.1 p30 -52.85 161.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -70.06 -54.8 9.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.004 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.72 -173.14 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.4 m-20 -125.29 -172.27 2.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.555 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.33 -49.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.05 -21.87 15.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.0 27.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 -39.09 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -71.89 -49.07 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.94 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 66.1 t90 -71.19 -37.77 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 108.024 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.02 -49.66 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ALA . 33.5 t0 -68.79 -36.5 78.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' ASP . . . -40.28 -33.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 57' ' ' ARG . . . 56.13 166.56 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 177.08 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.5 -70.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.292 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.447 0.165 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.2 179.63 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.3 mt -71.07 177.7 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.4 m -155.08 113.2 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.48 102.33 10.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -64.07 134.54 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -166.39 148.42 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -138.71 123.29 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.19 101.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -40.23 118.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.47 168.97 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -44.83 71.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.5 OUTLIER -57.45 -30.98 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.6 m -75.38 -47.56 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -34.9 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -31.21 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 -48.0 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.66 -37.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -51.03 71.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.39 80.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 26' ' ' ALA . 4.2 mt -62.18 -57.93 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.32 -44.44 79.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.238 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.49 61.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.02 40.02 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -53.06 -52.71 57.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.7 -140.58 11.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 156.07 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.47 179.76 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -112.53 140.64 47.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -92.85 129.84 38.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -125.59 127.1 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.55 122.07 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 48' ' ' VAL . 1.1 pt -75.94 -17.82 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.48 78.26 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.05 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -108.94 96.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.6 -36.72 25.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.78 84.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.2 mt -71.94 -35.56 69.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.37 -46.15 81.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -29.0 63.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.54 59.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 12.8 m-85 -106.37 -74.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.17 -74.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.6 mm? -90.15 -28.45 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -92.38 38.3 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -52.41 -49.3 86.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.08 74.26 4.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 4.2 t -116.61 126.67 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.36 119.14 33.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -115.43 163.76 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.8 168.77 13.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.45 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.449 ' HG3' ' CD ' ' A' ' 76' ' ' PRO . 1.1 mtp -60.46 -40.12 90.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.3 40.82 0.46 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -139.44 159.26 42.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -138.24 166.33 24.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 tp -125.16 146.66 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.57 157.73 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.608 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -63.71 -54.81 39.1 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 108.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 116.34 4.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -155.02 177.52 11.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -115.27 -172.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.556 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -78.03 -49.59 1.94 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -31.52 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.32 -40.69 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -45.84 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -31.97 60.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.501 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 77.6 t90 -75.53 -40.11 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -51.61 -53.65 36.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -58.79 -38.48 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.73 -24.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.71 162.59 39.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.449 ' CD ' ' HG3' ' A' ' 55' ' ' MET . 18.4 Cg_endo -75.02 170.88 19.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.37 151.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.498 0.189 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.03 167.13 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.66 -178.03 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.465 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 73.4 m -156.0 115.72 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -110.85 108.91 18.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -69.76 128.63 37.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.51 152.2 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -124.44 116.86 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.55 173.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.85 125.47 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 173.08 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 108.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -74.57 -53.7 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.8 OUTLIER -49.93 -40.55 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -70.32 -39.95 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -57.67 -37.67 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.12 -32.82 74.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.32 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.11 -35.3 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.39 74.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.16 80.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 26' ' ' ALA . 3.9 mt -59.27 -57.22 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.56 71.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.32 -49.08 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.05 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.55 38.94 7.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -47.71 -62.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.16 -136.86 8.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.68 154.7 17.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -161.64 -177.8 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -116.4 140.93 48.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -93.26 144.6 25.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -136.24 128.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.35 118.14 32.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.2 pt -68.48 -16.4 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.92 169.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 45.44 41.64 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -167.32 97.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.44 75.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.24 73.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.34 -38.91 88.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 6.3 mm-40 -61.03 -46.73 89.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -30.35 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -44.2 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LEU . 27.1 m-85 -109.94 -71.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 57.47 -87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.1 mm? -72.29 -35.42 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.57 35.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.2 -50.46 75.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.08 4.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.3 t -115.57 125.84 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -89.46 114.22 25.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.465 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -111.83 166.15 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -130.74 163.58 47.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.32 17.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.9 mmm -67.55 -41.65 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 50.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.71 159.67 41.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -135.54 162.36 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.1 tp -134.34 145.73 49.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.05 160.79 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.14 -54.19 21.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 116.29 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -152.48 -172.41 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.4 m-20 -126.72 -172.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.1 -49.73 2.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.99 -21.64 15.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -32.81 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -39.42 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -67.42 -48.96 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 85.9 t90 -74.43 -37.64 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -43.73 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 -6.82 53.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.4 23.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . . . -49.69 -54.77 28.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 77' ' ' HIS . 18.3 Cg_endo -75.03 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' PRO . 10.7 t-80 88.25 -43.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.501 0.191 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.92 161.97 13.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.12 -175.65 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.459 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 27.6 m -146.37 113.17 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -109.51 104.9 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -63.94 137.82 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -174.67 142.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 123.78 25.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.0 t70 64.31 129.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -44.72 117.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 163.51 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -78.5 -57.09 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.603 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 9.0 tp -45.62 -41.1 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.17 -38.28 69.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' HIS . 30.4 t0 -56.65 -51.33 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.12 -28.01 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.64 -50.4 44.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.51 -35.0 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -51.22 70.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.71 80.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -59.59 -52.86 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.68 93.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.62 -40.26 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.02 -12.53 59.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 39.98 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -52.37 -58.77 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.34 -136.08 8.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 154.95 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.01 178.27 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -109.75 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 p -89.02 125.44 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -119.6 134.25 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.07 124.83 47.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 48' ' ' VAL . 1.4 pt -78.49 -17.5 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.4 p-10 -53.89 146.51 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.3 t0 81.63 -53.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.8 98.84 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.64 81.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.5 -50.34 74.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.2 -35.99 80.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.15 -47.2 83.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.97 68.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.49 -44.86 66.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 30.8 m-85 -108.13 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.81 -78.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.4 mm? -85.45 -27.23 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -91.92 36.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -53.83 -49.76 87.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.96 73.04 4.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 6.2 t -118.33 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.38 118.89 32.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -119.19 160.37 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.574 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -122.36 171.42 6.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.5 12.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -40.99 91.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.74 46.33 0.32 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.09 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.1 mtt-85 -142.93 174.75 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.7 162.27 37.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 71' ' ' TRP . 25.5 tp -122.0 144.51 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -56.02 145.67 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -54.92 -58.55 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.025 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 110.97 3.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.85 -171.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.2 m-20 -127.97 -174.36 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.24 -49.46 3.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -21.55 15.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -33.27 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.35 -39.22 33.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.93 -48.73 65.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.0 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.574 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 76.4 t90 -74.82 -36.46 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.08 -44.57 94.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -8.7 55.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.83 -17.3 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.522 ' N ' ' CD ' ' A' ' 76' ' ' PRO . . . -53.46 -51.65 73.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.03 -174.86 2.1 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -64.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.51 0.195 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.29 178.28 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 72' ' ' LEU . 7.9 mt -95.29 -177.48 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 15.8 m -155.05 119.23 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -117.64 102.62 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.594 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 56.0 m-85 -63.92 135.16 56.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 19.3 pt20 -143.26 169.12 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 114.6 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 48.75 39.31 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 t0 43.78 86.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t -77.04 132.7 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -31.66 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.62 ' CD2' ' CE2' ' A' ' 61' ' ' TRP . 0.7 OUTLIER -70.85 -42.42 70.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' CYS . 98.2 m -51.89 -42.37 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -48.89 63.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.48 -29.86 70.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -45.35 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.3 t -61.17 -35.02 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -46.48 87.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.23 88.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -61.47 -56.33 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -46.32 75.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.08 -45.64 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -10.64 60.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 39.11 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.502 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -51.8 -64.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.89 -134.93 6.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.64 154.59 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.37 177.29 11.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -110.71 132.98 53.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -91.45 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -106.79 130.54 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -100.49 123.33 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.8 pt -79.42 -20.03 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -51.66 141.65 16.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 83.15 -50.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.29 101.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.5 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.07 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.82 -39.66 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.5 mm-40 -58.77 -44.48 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -28.84 62.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -45.64 48.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 54.6 m-85 -108.43 -64.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.37 -83.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.6 mm? -86.54 -25.64 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.08 36.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.2 t -54.47 -46.6 99.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.94 74.47 3.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 10.1 t -123.76 124.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -97.36 119.99 36.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 10.6 ptm180 -117.22 150.3 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.538 ' OD1' ' CZ3' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -111.28 170.22 5.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.14 9.37 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.8 mmt -57.5 -40.42 78.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.65 46.74 0.26 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -154.65 166.57 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -139.84 162.89 34.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.56 146.03 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -56.91 143.31 38.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.62 ' CE2' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -47.07 -53.68 25.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.98 112.39 3.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.47 -171.34 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.9 m-20 -130.42 -173.94 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.554 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.66 -49.79 2.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.98 -21.55 15.79 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 -33.41 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 63' ' ' PHE . 1.1 tp -79.26 -39.37 33.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -68.49 -48.93 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.13 65.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' ' OD1' ' A' ' 53' ' ' ASP . 76.9 t90 -73.81 -37.97 64.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' CD2' HD21 ' A' ' 3' ' ' LEU . 48.5 mt -61.48 -45.27 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -6.96 50.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.11 -18.77 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.485 ' N ' ' CD ' ' A' ' 76' ' ' PRO . . . -54.19 -53.32 60.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.05 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.03 26.81 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.645 ' N ' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.487 0.184 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.89 -146.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' CD1' HD23 ' A' ' 51' ' ' LEU . 1.0 OUTLIER -82.2 -175.2 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.0 m -149.64 137.32 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.23 104.34 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -64.33 137.76 58.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -144.23 169.96 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.47 173.63 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -41.13 -42.39 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.7 117.05 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.7 m -95.9 -175.94 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 108.322 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.7 m80 73.16 -66.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 61' ' ' TRP . 3.9 tp -53.81 -45.72 70.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.94 -44.95 37.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -51.41 -52.62 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -59.75 -29.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.65 -50.41 44.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.3 -39.26 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -51.02 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.38 75.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -60.66 -56.62 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.67 74.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.26 -42.73 82.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.71 -1.74 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 50.73 39.66 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -48.12 -67.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.92 -135.61 8.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.42 154.09 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -166.47 -171.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CZ ' ' N ' ' A' ' 1' ' ' MET . 9.6 m-85 -116.06 153.49 31.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.11 140.0 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.95 137.78 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.9 116.93 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 4.0 pt -70.75 -13.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.82 162.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.7 t0 45.71 51.72 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -172.75 98.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.27 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.94 74.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.75 -39.13 87.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.2 mm-40 -61.23 -44.96 96.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -29.0 62.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.82 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.362 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.2 m-85 -112.05 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.85 -89.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -73.55 -28.6 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.98 34.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -58.33 -49.93 90.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 64.26 6.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 t -108.41 130.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -96.41 123.05 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -124.64 146.45 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.613 ' OD2' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -114.2 163.94 17.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -16.83 20.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.23 44.68 0.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 1.5 mtp-105 -145.29 156.85 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 52' ' ' ARG . 54.3 mt-10 -134.51 168.73 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 40.3 tp -128.78 146.62 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -63.74 133.9 54.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -43.82 -53.23 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -140.52 -171.4 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.2 m-20 -126.42 -172.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.548 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.12 -50.15 2.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.84 15.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.809 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -79.41 -39.92 31.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -46.89 73.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.94 67.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.613 ' CZ2' ' OD2' ' A' ' 53' ' ' ASP . 67.4 t90 -72.78 -33.8 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.78 -50.06 46.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -32.3 63.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.91 -24.9 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.05 95.38 39.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.51 18.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 178.08 148.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.469 0.176 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.81 123.58 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.18 -177.48 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 m -136.12 109.59 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -111.41 102.26 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 42.0 m-85 -62.84 134.19 55.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -165.88 148.92 7.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -133.37 115.01 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' ARG . 1.7 t0 61.31 121.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' ASP . 12.0 t70 -40.35 109.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.53 155.11 39.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.04 -37.28 84.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD22 ' CG ' ' A' ' 49' ' ' PRO . 6.4 tp -60.99 -40.97 95.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 t -74.39 -43.06 58.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.13 -45.95 61.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.77 -26.68 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 -47.45 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.53 -37.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.55 72.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.6 84.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -57.42 11.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.17 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -39.95 82.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.45 29.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.21 40.1 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.91 -57.71 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.01 -138.72 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.09 154.98 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.61 179.2 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -111.47 140.81 45.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.72 139.89 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -130.02 133.92 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.43 118.84 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.5 pt -71.43 -13.5 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -49.93 165.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.1 51.33 7.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -173.59 99.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.46 71.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.43 -49.75 76.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 37' ' ' ASP . 31.5 mt -67.02 -36.2 81.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.4 mm-40 -65.35 -44.74 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -30.74 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.41 58.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.453 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 40.1 m-85 -110.97 -66.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.46 -89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -70.15 -33.44 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -92.03 32.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -46.63 -50.0 43.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 2.7 t -116.21 127.28 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 130.24 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -130.91 146.81 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -115.32 171.23 4.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.5 12.7 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.4 mtt -59.22 -20.67 56.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.94 4.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -135.38 162.82 31.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.269 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.55 167.42 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 17.4 tp -124.79 146.12 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.4 149.2 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.601 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -56.35 -52.76 70.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 108.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.07 111.92 3.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.42 -175.58 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.8 m-20 -127.3 -173.01 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.44 -50.14 2.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.5 Cg_endo -74.97 -21.99 15.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -32.17 29.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tp -79.27 -39.85 31.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -68.51 -49.43 59.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -31.47 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.59 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 67.5 t90 -73.87 -41.53 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.02 -49.6 77.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -64.97 -39.65 93.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -40.25 -35.66 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.9 64.42 4.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.0 -178.27 4.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.61 -72.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.548 0.213 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.422 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . . . -162.56 -170.43 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 mt -77.91 -177.83 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.3 m -155.88 110.69 2.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.31 103.75 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 66.9 m-85 -64.13 131.5 47.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -164.83 154.63 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -136.06 116.06 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 125.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -43.04 117.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.93 164.67 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.64 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 4.9 tp -46.49 -39.72 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 t -73.28 -44.99 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.268 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -49.03 61.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.91 -35.7 75.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.45 93.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.88 -34.98 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -51.1 71.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.69 69.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -57.71 -55.82 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.12 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.49 -10.1 59.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.54 40.35 23.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -56.27 -61.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.56 -138.66 10.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.15 154.74 17.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -157.36 179.06 9.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 2' ' ' ALA . 76.8 m-85 -116.92 142.04 47.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.95 142.87 26.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.92 128.47 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -91.43 124.96 36.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -74.48 -15.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.2 p-10 -58.23 148.43 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 8.8 t0 82.05 -53.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.4 82.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.18 -39.04 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.22 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.8 -32.66 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.2 mm-40 -66.62 -47.44 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -29.48 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.27 61.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 32.8 m-85 -104.95 -71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.07 -81.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.9 mm? -81.88 -30.98 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.3 36.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.54 -49.99 79.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 74.03 4.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.8 t -117.37 125.51 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -85.8 114.89 23.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -111.59 145.38 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -110.13 165.75 12.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.0 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 mmt -64.95 -51.66 60.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.39 48.52 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -139.25 158.18 44.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -131.61 166.95 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 13.1 tp -135.87 146.79 47.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -65.41 142.86 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.548 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -47.39 -53.59 28.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 107.992 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 113.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.64 -171.31 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -130.58 -175.46 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -75.18 -49.58 4.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -32.38 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.39 -39.78 31.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -67.89 -48.56 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.58 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 67.2 t90 -74.12 -32.91 63.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.3 -44.42 87.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -11.62 59.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.12 -18.57 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.506 ' N ' ' CD ' ' A' ' 76' ' ' PRO . . . -46.36 -52.31 29.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.04 -170.53 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.34 96.84 6.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.51 0.195 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.26 49.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.3 mt -98.91 -177.54 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 49.6 m -152.4 111.13 3.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.67 116.66 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.2 133.12 40.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.71 142.93 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -82.75 176.45 9.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.54 84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.78 175.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -153.02 129.38 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -166.51 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.4 OUTLIER -77.12 -30.27 55.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.7 p -58.02 -23.24 53.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 16' ' ' GLN . 9.0 p-10 -50.25 -50.69 49.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' ASP . 3.2 mt-30 -64.41 -33.51 76.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.75 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.19 -34.99 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -50.99 68.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.42 79.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -61.51 -56.98 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.86 74.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.39 -47.48 78.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -10.31 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 59.45 39.98 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' CB ' HD22 ' A' ' 21' ' ' LEU . . . -54.08 -60.97 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.96 -136.64 8.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.43 155.92 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -155.66 178.35 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -114.33 136.92 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.0 p -88.36 135.28 33.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.6 t -127.84 133.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.37 119.4 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.444 HD12 ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -78.3 -16.28 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.73 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 166.96 -35.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.9 97.01 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.8 -35.02 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.56 -32.96 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLY . 2.8 mm-40 -67.03 -46.21 75.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -29.2 65.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.38 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' LEU . 17.8 m-85 -103.44 -70.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 54.93 -86.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.4 mm? -75.71 -31.66 59.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.01 35.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.561 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -49.22 -49.29 70.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 71.02 5.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 2.8 t -114.79 126.41 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.53 117.19 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.71 165.04 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.596 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -121.17 168.02 11.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' N ' ' NH2' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -75.0 -30.42 7.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.0 ptp -64.48 -37.35 87.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.67 45.7 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.07 162.95 25.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -145.41 160.83 40.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 20.5 tp -134.8 143.18 46.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.1 t0 -54.53 160.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -66.46 -52.87 33.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.95 111.95 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.14 -177.75 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -123.22 -169.99 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -78.44 -50.75 1.61 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.01 -21.38 15.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -32.36 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.33 -38.76 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -71.55 -48.23 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.35 60.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.596 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 54.7 t90 -69.57 -38.86 77.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.11 -52.36 59.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 75' ' ' ALA . 5.3 m-20 -64.38 -41.36 96.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.43 -31.41 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.508 ' CB ' ' CD ' ' A' ' 76' ' ' PRO . . . 50.09 -178.59 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 75' ' ' ALA . 18.4 Cg_endo -74.98 -172.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -58.64 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.463 0.173 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -93.35 136.97 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' CD2' ' CG ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -102.98 -175.84 2.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 57.9 m -147.57 105.1 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -114.9 107.4 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -65.41 135.99 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -149.5 164.12 35.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -151.61 113.05 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.6 t0 54.04 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -72.12 92.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.92 162.41 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.328 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -78.08 -54.54 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.623 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 8.8 tp -45.65 -36.25 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.8 m -76.11 -46.95 26.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 108.289 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -51.05 54.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.45 -32.75 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.1 -50.84 29.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.76 -35.49 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -50.44 73.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.65 80.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -62.33 -57.7 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.46 -49.41 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -10.27 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 39.99 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -48.72 -62.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.3 -136.54 8.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.09 157.35 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -166.41 -179.13 4.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE2' ' CB ' ' A' ' 2' ' ' ALA . 29.4 m-85 -102.27 134.85 44.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -98.91 129.81 45.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -118.56 136.81 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -100.51 123.95 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' CG2' ' A' ' 48' ' ' VAL . 1.6 pt -77.76 -13.55 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -58.6 143.62 45.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.6 t0 80.42 -53.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' CB ' HD13 ' A' ' 40' ' ' LEU . 5.7 m-20 -68.78 84.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.68 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.2 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 37' ' ' ASP . 35.5 mt -70.2 -31.2 68.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.2 mt-10 -67.25 -49.38 64.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -28.97 62.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.1 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' LEU . 35.3 m-85 -108.42 -67.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 57.22 -84.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -78.52 -28.34 46.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.499 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.07 35.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -55.25 -47.97 97.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.96 67.73 5.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.5 t -111.95 135.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.2 mt -107.54 122.67 47.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -130.84 143.02 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' CG ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -129.8 171.02 9.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.059 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -117.37 -23.46 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.88 -12.48 78.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 74.48 -168.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.239 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -113.62 153.7 28.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 40.8 tp -123.0 147.04 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -52.44 161.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.43 -51.71 31.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -75.01 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -159.49 175.33 13.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -113.88 -174.07 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.64 -49.48 2.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -33.07 31.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.501 HD12 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.32 -36.65 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -47.98 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.8 67.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 78.5 t90 -70.24 -40.62 74.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 107.98 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.34 -48.21 82.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 75' ' ' ALA . 36.1 m-20 -68.94 -36.27 77.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.97 -25.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 73' ' ' ASP . . . -42.65 150.06 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.75 10.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -92.22 -63.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.588 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.492 0.187 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.24 -162.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.52 178.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 41.5 m -152.78 105.66 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -102.76 105.71 16.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -63.79 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -168.35 153.91 6.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 31.4 ptt85 -137.14 113.83 10.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 5.0 t0 78.4 -161.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 112.93 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 22.2 p -134.15 -144.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.406 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -109.97 -46.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD13 ' CZ2' ' A' ' 61' ' ' TRP . 9.9 tp -44.82 -38.81 4.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.7 t -76.36 -44.93 34.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.87 -52.45 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.97 -31.67 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.73 -51.01 24.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -36.49 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -50.96 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.64 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 26' ' ' ALA . 3.7 mt -62.22 -59.2 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.6 74.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.02 -41.06 82.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.55 -10.57 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.67 40.3 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 21' ' ' LEU . . . -52.69 -40.02 62.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -138.1 12.51 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.21 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -157.83 -178.17 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -117.52 145.79 43.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.48 141.86 30.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.24 138.88 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.87 128.92 54.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.77 -0.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -85.66 49.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -167.96 32.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.68 96.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.37 -32.13 10.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.26 86.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.13 -32.3 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.3 mm-40 -68.04 -45.43 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.5 63.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LEU . 15.1 m-85 -112.65 -72.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 63.84 -74.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.7 mm? -93.49 -25.02 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.803 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -92.36 39.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.5 t -56.41 -44.6 99.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 3.3 t -111.37 138.23 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.18 130.85 54.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 2.3 ptm180 -128.68 154.5 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -120.14 166.19 15.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -20.28 17.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.79 -33.8 74.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.55 36.15 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 4.9 mtp85 -139.65 167.62 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.33 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.52 ' HG ' ' CD2' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -124.35 144.19 50.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -64.33 134.02 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.602 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -42.85 -52.47 11.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.03 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -144.54 -177.09 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 m-20 -124.67 -172.64 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.06 -50.07 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.98 -26.24 11.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -31.01 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -40.2 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -68.89 -50.41 49.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.43 -31.99 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 69.8 t90 -72.0 -38.37 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 107.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.22 -53.11 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.97 -38.71 86.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -41.2 -35.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.76 64.31 4.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.5 Cg_endo -74.98 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 -56.89 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.69 -163.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.31 178.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.473 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 20.2 m -156.13 107.01 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tp -103.27 105.12 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -64.71 134.99 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 1.4 pp0? -170.13 141.81 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.5 107.48 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t0 42.83 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -155.62 148.87 24.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -144.86 63.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.614 ' HD1' ' N ' ' A' ' 13' ' ' LEU . 4.8 t-80 -179.57 -76.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.614 ' N ' ' HD1' ' A' ' 12' ' ' HIS . 4.5 tp -63.07 -41.48 99.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' CB ' ' A' ' 7' ' ' GLN . 41.1 t -75.38 -40.49 57.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -50.42 74.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.42 -28.73 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.93 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -59.99 -35.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.09 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.45 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 1.7 mt -60.18 -56.62 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.97 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.6 -42.39 83.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.17 -9.21 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 40.06 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -51.79 -56.82 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.73 -139.19 11.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.27 154.46 20.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -161.09 -174.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -118.52 144.13 46.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.0 139.93 37.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.86 138.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -102.68 123.79 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.1 pt -77.52 -14.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.4 149.59 20.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.1 t0 81.58 -53.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.75 102.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.44 69.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.54 -38.31 86.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.5 mm-40 -60.48 -45.49 93.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -29.22 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.76 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LEU . 47.7 m-85 -110.54 -72.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.74 -72.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -93.97 -24.56 17.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -93.82 39.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.546 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.04 -50.14 89.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.1 Cg_endo -74.99 74.13 4.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 9.6 t -117.05 130.38 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -94.44 114.38 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.53 162.78 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.608 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -129.12 166.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.01 18.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -40.1 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.73 39.09 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.122 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 8.3 mtt180 -140.37 159.27 42.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.71 167.07 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 71' ' ' TRP . 20.5 tp -123.59 147.18 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -57.86 144.24 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.596 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.6 -58.41 14.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 105.89 2.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -141.73 -171.54 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -126.64 -172.31 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -77.46 -50.0 2.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -74.98 -21.32 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -31.96 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD11 ' CD2' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -79.42 -39.36 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -70.71 -49.64 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.47 -30.64 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.608 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.3 t90 -74.43 -37.92 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 mt -63.03 -46.14 88.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.94 -6.94 53.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.85 -18.9 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' N ' ' CD ' ' A' ' 76' ' ' PRO . . . -50.46 -52.97 50.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.0 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 64.59 11.9 7.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.465 0.174 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.5 172.23 14.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.56 -178.04 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.462 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 91.4 m -156.13 113.73 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.57 120.81 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 39.5 m-85 -80.52 135.63 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.633 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 29.6 pt20 -127.93 169.64 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -122.15 -178.73 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.4 -52.31 66.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.23 -170.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -161.51 123.61 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -178.6 -57.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.695 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 13.2 tp -75.99 -35.85 59.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -69.5 -27.25 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.88 -57.46 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.72 -23.27 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 -50.24 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.28 -36.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.85 -51.02 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.14 74.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -59.15 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.68 -45.45 77.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.38 -43.19 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.54 -1.02 28.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 50.0 39.95 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.08 -59.99 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.13 -141.85 12.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.88 155.27 17.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -163.6 179.18 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -113.97 137.59 51.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' A' ' 7' ' ' GLN . 2.1 m -104.22 133.82 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.0 125.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 7' ' ' GLN . 78.6 m-85 -84.4 125.82 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 48' ' ' VAL . 3.5 pt -79.85 -15.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 22.7 t0 -53.98 140.59 30.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.2 t0 82.14 -53.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.55 99.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -30.57 70.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.07 76.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.33 -32.84 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.7 mm-40 -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -28.55 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -43.15 66.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 6' ' ' TYR . 41.6 m-85 -114.31 -66.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.59 -83.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.8 mm? -82.62 -26.65 32.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.62 35.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -57.07 -49.36 94.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.12 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 t -122.5 125.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -94.84 114.78 26.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -115.16 163.94 14.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.5 169.63 9.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.97 10.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -50.25 71.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.97 45.24 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -136.77 159.81 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -138.97 163.58 31.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 71' ' ' TRP . 17.9 tp -127.5 146.71 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.27 151.1 20.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.695 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.15 -54.39 50.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.051 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -150.6 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.486 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 m-20 -134.56 177.58 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -68.88 -49.6 26.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -74.99 -24.44 12.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -32.86 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 1.1 tp -79.32 -35.97 40.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -49.31 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.6 -30.28 54.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.508 ' CD1' HD12 ' A' ' 59' ' ' LEU . 63.6 t90 -73.15 -43.65 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.7 mt -58.58 -51.12 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -50.75 -37.36 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.44 -22.82 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -118.82 166.5 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.49 ' HG2' ' CE1' ' A' ' 77' ' ' HIS . 18.2 Cg_endo -74.97 -172.02 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 76' ' ' PRO . 0.1 OUTLIER 38.47 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.645 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.12 179.86 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 28.7 mt -64.58 178.22 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.8 m -155.78 105.76 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.77 111.69 23.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.92 136.15 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -164.61 142.79 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -87.21 -176.76 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.75 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 62.24 149.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 176.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 108.276 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -101.75 -44.64 5.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.589 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 12.3 tp -60.43 -38.74 85.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.1 p -74.98 -37.9 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.31 -54.87 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -22.94 59.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -50.2 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.29 -35.93 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.9 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.45 79.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 1.2 mt -64.0 -57.74 8.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.97 -44.16 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -56.96 -43.77 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 39.96 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' CB ' ' CD2' ' A' ' 21' ' ' LEU . . . -49.34 -49.26 45.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.51 -139.64 11.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.76 154.97 17.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -162.17 -177.53 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -108.83 132.94 53.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -101.43 132.46 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.56 136.27 58.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -96.46 120.76 37.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -78.21 -20.96 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.3 p30 -51.1 145.79 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.5 t0 81.93 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.44 91.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.46 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.53 83.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.18 -33.29 71.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.0 mm-40 -65.71 -46.25 79.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -29.02 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.83 -43.19 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LEU . 29.1 m-85 -108.05 -69.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.01 -81.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -83.0 -29.17 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.18 36.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.52 -49.34 94.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB2' ' CE3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.03 70.93 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 47' ' ' ARG . 9.9 t -117.18 134.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mt -105.8 135.2 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.44 141.74 41.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.68 161.1 55.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.49 19.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.4 mtm -141.59 -43.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -61.64 -14.9 45.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 77.83 -166.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.53 143.64 42.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 71' ' ' TRP . 20.3 tp -112.64 147.33 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -50.17 159.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -64.58 -53.0 48.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -159.25 171.6 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -111.75 -174.03 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . . . -76.73 -49.43 2.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.02 -22.11 15.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -33.09 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -79.42 -39.44 32.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -68.98 -50.14 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.87 -30.89 62.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.562 ' CD1' HD12 ' A' ' 59' ' ' LEU . 83.2 t90 -75.33 -34.42 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -5.96 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -86.74 -22.58 25.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' CB ' ' HD3' ' A' ' 76' ' ' PRO . . . -39.79 -55.65 3.52 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.95 171.34 18.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -119.98 110.27 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.636 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -156.04 110.79 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.56 102.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 85.1 m-85 -68.69 137.31 54.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.15 166.51 23.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HB3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' A' ' 49' ' ' PRO . 19.1 tp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.2 p -75.14 -27.06 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.9 -53.68 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.61 -34.4 69.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -62.75 -50.31 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.64 -35.97 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -48.56 81.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.09 88.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -62.98 -56.01 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.4 -47.15 76.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.52 -46.55 86.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -11.99 57.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 39.33 13.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.718 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.46 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.61 -138.03 9.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.86 154.8 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -164.23 -178.92 5.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -113.59 136.93 52.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.36 140.24 35.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.8 t -127.28 130.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -95.25 124.7 39.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.8 pt -82.63 -18.17 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.32 75.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 168.96 -32.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.603 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.3 m-20 -114.36 106.38 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.87 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.03 77.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' HB2' ' A' ' 37' ' ' ASP . 42.5 mt -70.27 -37.91 74.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -61.92 -44.84 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -36.51 76.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.26 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 24.6 m-85 -100.6 -71.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 61.09 -81.47 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.8 mm? -83.8 -30.66 26.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.789 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -90.5 37.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -52.28 -49.71 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.99 73.53 4.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.3 t -117.74 126.12 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -93.2 120.17 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 31.4 ttt85 -115.25 150.42 36.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -116.63 164.09 19.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 71' ' ' TRP . 21.5 tp -124.22 143.77 50.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -58.58 149.29 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.581 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -57.92 -53.68 63.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.016 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 111.76 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.84 -173.11 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -127.15 -172.62 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.13 -49.84 2.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -31.57 40.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.44 -38.24 35.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 72' ' ' LEU . 5.7 tpt85 -68.55 -50.36 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.82 61.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 87.8 t90 -75.01 -35.9 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.0 mt -65.98 -51.43 58.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 51' ' ' LEU . 1.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.503 HG21 ' HE ' ' A' ' 52' ' ' ARG . 5.0 m -155.52 112.45 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tp -114.21 114.27 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 34' ' ' ILE . 31.8 m-85 -72.53 133.62 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -144.09 170.09 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.702 HD23 ' CD ' ' A' ' 49' ' ' PRO . 4.1 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 15.6 t -76.1 -43.57 42.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -50.91 -53.14 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.99 -31.74 65.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.4 -44.35 65.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.85 -37.91 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -51.0 71.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.4 83.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.616 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -64.61 -55.76 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.9 88.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.32 -44.23 84.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.02 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.03 39.6 31.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.07 -57.29 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -137.69 9.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.63 154.67 19.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -162.17 -178.23 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -105.04 139.7 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -100.48 134.52 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.15 127.89 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -91.05 125.97 36.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 6' ' ' TYR . 1.2 pt -82.99 -15.84 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.4 p-10 -56.93 145.57 29.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 82.26 -52.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.98 97.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.31 77.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.77 80.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.7 mt -68.8 -34.78 76.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.8 mm-40 -64.58 -46.98 80.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -29.8 65.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.88 64.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.0 m-85 -107.9 -70.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.18 -77.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.5 mm? -89.79 -26.81 20.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.76 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.4 37.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -56.05 -48.2 97.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.702 ' CD ' HD23 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 69.5 5.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 47' ' ' ARG . 8.0 t -116.02 126.49 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.18 120.48 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HE ' HG21 ' A' ' 4' ' ' THR . 1.1 ptt85 -119.06 144.4 46.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.31 9.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 68' ' ' LEU . 34.6 tp -99.58 146.96 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.0 t0 -56.79 162.44 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.606 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -69.02 -52.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.03 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -154.32 176.81 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.7 m-20 -114.92 -173.57 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.85 -49.54 2.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.07 -19.68 17.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.29 27.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.19 -34.97 42.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.0 tpt180 -72.41 -52.05 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.07 64.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.665 ' CD1' HD13 ' A' ' 59' ' ' LEU . 75.9 t90 -64.93 -39.72 93.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 69' ' ' ARG . 16.5 mt -61.84 -49.5 76.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 96.7 m -156.05 110.66 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp -111.47 105.52 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -66.37 135.38 54.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -154.81 155.16 33.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.621 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 49' ' ' PRO . 7.2 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.16 -39.46 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -52.76 64.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.17 -29.15 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -50.17 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.33 -35.01 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -51.06 70.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.35 -40.14 77.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -60.23 -56.87 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.48 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.58 -38.38 81.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.23 -5.69 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.63 39.56 31.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.77 -55.25 17.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.14 -148.12 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.39 154.92 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -162.84 -179.2 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.16 148.0 27.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.11 139.54 45.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.0 t -129.84 137.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.03 118.65 36.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.521 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.4 pt -70.68 -12.48 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -59.57 172.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.48 35.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.15 94.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.69 84.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -68.74 -37.95 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.7 mm-40 -62.21 -45.49 93.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -30.15 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.02 66.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' LEU . 24.2 m-85 -111.62 -69.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.99 -83.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.9 mm? -79.66 -30.92 41.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -90.44 36.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.621 HG21 ' HG2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -55.16 -49.53 91.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 73.84 4.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 47' ' ' ARG . 7.3 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.75 126.08 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 3' ' ' LEU . 7.5 ptm180 -125.84 150.63 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.594 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -110.67 166.34 10.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.995 HD23 HD12 ' A' ' 68' ' ' LEU . 15.7 tp -105.93 143.05 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -55.07 155.25 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.583 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -59.79 -53.74 62.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.64 -173.71 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.5 m-20 -128.49 -173.88 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.8 -49.67 2.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.75 15.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -33.28 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.995 HD12 HD23 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -79.06 -40.25 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.13 -46.71 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.78 -32.96 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.594 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 77.4 t90 -75.08 -39.83 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 68' ' ' LEU . 2.8 mm? -52.08 -53.88 37.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 53' ' ' ASP . 14.1 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.7 m -155.75 107.94 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -109.04 101.54 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 98.1 m-85 -65.24 133.27 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -140.53 168.45 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.475 ' HG2' HG11 ' A' ' 48' ' ' VAL . 8.1 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.649 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -74.23 -35.54 63.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -56.44 -40.06 74.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.63 -26.95 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -51.06 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.95 -37.39 41.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.94 -50.83 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.96 80.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.16 -55.76 29.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.92 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -56.96 -43.92 82.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.3 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.29 39.72 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.794 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.01 -44.81 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.53 -137.66 14.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 154.47 17.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -162.44 -175.0 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.01 143.38 40.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.89 139.58 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -133.17 132.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -103.31 119.7 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -71.53 -15.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.8 p-10 -56.72 140.48 47.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.6 t0 81.95 -53.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.03 102.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.14 74.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.03 71.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.9 -34.93 78.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.77 -47.65 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -28.99 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.63 65.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HE1' HG11 ' A' ' 50' ' ' VAL . 59.5 m-85 -110.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 66.14 -71.75 0.14 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -93.76 -29.75 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.11 37.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 t -53.26 -48.67 91.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.649 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.03 74.56 3.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' ARG . 12.0 t -121.83 124.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -95.16 127.15 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -128.05 151.04 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.677 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -106.65 168.34 8.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.818 HD23 HD12 ' A' ' 68' ' ' LEU . 20.3 tp -122.42 146.92 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -61.3 141.81 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.591 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -45.7 -53.4 20.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 107.979 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 111.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.43 -173.11 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -128.29 -173.23 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.04 -49.89 2.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -22.45 14.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -32.49 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.818 HD12 HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -79.45 -39.48 32.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.654 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -70.23 -48.06 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -30.66 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.7 t90 -74.67 -38.62 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 69' ' ' ARG . 14.9 mt -61.66 -47.47 85.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' ASP . 36.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -155.09 114.95 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.07 101.04 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 79.7 m-85 -65.83 134.26 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -167.26 160.11 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 49' ' ' PRO . 3.0 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 t -68.36 -43.0 78.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -53.36 -43.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.9 -38.56 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.87 84.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.01 -38.79 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.83 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.98 74.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD21 HD21 ' A' ' 51' ' ' LEU . 4.9 mt -58.97 -58.73 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -46.68 74.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.33 -42.94 82.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -10.18 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 39.76 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.42 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.76 -141.1 13.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.58 154.43 20.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -161.12 -172.87 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.31 153.23 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -117.89 144.52 45.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -137.4 132.21 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -93.59 130.27 39.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.1 pt -85.23 -19.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.5 t0 -55.82 141.56 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 11.4 t0 81.84 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.19 94.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.48 75.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.86 83.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.85 -33.74 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -66.04 -47.28 74.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -30.1 64.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.89 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 14.4 m-85 -115.08 -73.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.2 -74.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -90.08 -31.79 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -89.76 36.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -51.64 -49.1 84.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 74.4 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.6 t -115.65 125.6 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.29 114.26 26.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.5 ttt180 -111.26 151.13 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.688 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.94 168.77 7.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 68' ' ' LEU . 22.9 tp -124.64 145.08 49.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 1.2 t0 -58.49 152.19 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.597 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -61.02 -53.07 67.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.994 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.65 -175.63 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -124.97 -172.85 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.38 -49.72 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.0 -21.67 15.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -32.91 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.898 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.38 -39.35 32.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.623 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -67.85 -48.0 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.54 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.472 ' CD1' HD13 ' A' ' 59' ' ' LEU . 82.6 t90 -74.44 -40.07 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.047 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.7 mt -64.44 -52.27 58.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 53' ' ' ASP . 4.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.3 m -148.81 106.84 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 14' ' ' CYS . 1.7 tp -106.38 121.1 43.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -81.89 139.36 34.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.43 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 15.1 pt20 -135.57 165.16 26.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HB2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 10.8 t -76.03 -35.92 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.33 -54.68 28.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.92 -24.87 62.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.78 -46.86 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.52 -35.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -51.04 71.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.85 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 51' ' ' LEU . 2.4 mt -59.43 -58.69 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.1 75.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.81 -40.81 80.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -1.77 32.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.6 39.64 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.11 -68.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.4 -136.41 5.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.71 154.39 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -162.15 179.3 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -114.32 147.14 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -104.09 134.93 46.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.39 136.78 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -102.96 117.79 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.5 pt -71.27 -8.33 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -80.41 66.81 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -177.46 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.824 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.1 m-20 -107.54 109.26 20.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.62 69.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.02 86.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 37' ' ' ASP . 16.4 mt -72.54 -32.24 65.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.9 mm-40 -67.43 -47.6 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -29.25 62.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.73 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 32.6 m-85 -106.69 -70.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 65.13 -72.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.4 -24.71 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.747 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.63 37.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.3 t -56.34 -45.55 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.96 67.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.4 t -116.66 124.76 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.584 HD13 HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -92.36 119.13 31.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -107.75 150.67 26.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.479 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -119.68 162.43 32.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.777 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -105.75 146.27 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 t0 -63.45 148.8 47.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -56.12 -54.26 54.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 107.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -152.85 -171.36 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -131.14 -172.96 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.99 -49.99 2.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.01 -24.33 12.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -32.54 42.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.23 -39.84 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 72' ' ' LEU . 8.2 tpt180 -69.8 -49.11 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.52 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.777 ' CE3' HD12 ' A' ' 59' ' ' LEU . 66.2 t90 -71.32 -39.07 71.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 69' ' ' ARG . 43.2 mt -65.2 -50.87 64.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.4 m -139.11 106.61 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.92 102.41 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 71.2 m-85 -66.11 143.09 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.663 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.9 pt20 -173.15 151.83 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.37 -39.3 68.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.6 -37.77 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.05 -39.33 90.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -59.07 -49.82 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.23 -35.15 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -50.19 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.66 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.86 -59.23 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.46 72.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.47 -50.68 71.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -67.54 -13.47 62.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 38.56 7.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.17 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.71 -137.08 8.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.65 154.55 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.11 -179.91 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -112.29 142.9 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.35 142.19 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.17 134.34 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -100.45 135.32 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 pt -89.04 -15.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.4 166.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 41.62 58.82 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.45 94.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.59 77.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.89 -45.98 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -30.92 65.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' GLY . 22.9 mt-10 -67.18 -49.47 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -29.43 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.29 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 62.0 m-85 -116.56 -66.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 48' ' ' VAL . . . 63.05 -76.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.2 mm? -95.59 -22.84 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -93.07 38.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 7' ' ' GLN . 2.5 t -64.47 -44.85 76.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 60.82 5.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 47' ' ' ARG . 22.5 t -109.52 124.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.65 118.27 25.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 9.7 ttt180 -111.92 148.99 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -118.04 163.18 25.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE2' ' CG1' ' A' ' 50' ' ' VAL . 5.1 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.6 tp -117.07 143.67 45.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 44.1 p30 -52.85 161.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -70.06 -54.8 9.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.004 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.425 ' CD2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -153.72 -173.14 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.4 m-20 -125.29 -172.27 2.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.33 -49.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.05 -21.87 15.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.0 27.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.45 -39.09 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.791 ' HA ' HD12 ' A' ' 72' ' ' LEU . 7.5 tpt180 -71.89 -49.07 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.94 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 66.1 t90 -71.19 -37.77 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 108.024 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 69' ' ' ARG . 5.6 mt -66.02 -49.66 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t0 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 53' ' ' ASP . 34.3 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.4 m -155.08 113.2 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.48 102.33 10.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -64.07 134.54 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -166.39 148.42 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.6 m -75.38 -47.56 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -34.9 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -31.21 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 -48.0 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.66 -37.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -51.03 71.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.39 80.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 51' ' ' LEU . 4.2 mt -62.18 -57.93 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.32 -44.44 79.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.238 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.49 61.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.02 40.02 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.71 57.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.7 -140.58 11.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 156.07 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.47 179.76 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -112.53 140.64 47.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -92.85 129.84 38.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -125.59 127.1 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.55 122.07 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.592 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -75.94 -17.82 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.48 78.26 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.05 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.2 m-20 -108.94 96.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.6 -36.72 25.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.78 84.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 37' ' ' ASP . 24.2 mt -71.94 -35.56 69.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.37 -46.15 81.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -29.0 63.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.54 59.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 12.8 m-85 -106.37 -74.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.17 -74.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.6 mm? -90.15 -28.45 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -92.38 38.3 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -52.41 -49.3 86.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.08 74.26 4.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.2 t -116.61 126.67 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -95.36 119.14 33.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -115.43 163.76 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.8 168.77 13.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.7 pp20? . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 68' ' ' LEU . 29.1 tp -125.16 146.66 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.57 157.73 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.608 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -63.71 -54.81 39.1 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 108.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 116.34 4.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -155.02 177.52 11.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -115.27 -172.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.03 -49.59 1.94 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -31.52 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -79.32 -40.69 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -45.84 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -31.97 60.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.501 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 77.6 t90 -75.53 -40.11 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 68' ' ' LEU . 3.4 mm? -51.61 -53.65 36.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.475 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 73.4 m -156.0 115.72 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -110.85 108.91 18.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -69.76 128.63 37.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.51 152.2 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -70.32 -39.95 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -57.67 -37.67 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.12 -32.82 74.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -69.96 -50.32 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.11 -35.3 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.39 74.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.16 80.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.507 HD21 HD21 ' A' ' 51' ' ' LEU . 3.9 mt -59.27 -57.22 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.56 71.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.32 -49.08 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.05 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.55 38.94 7.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.71 -62.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.16 -136.86 8.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.68 154.7 17.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -161.64 -177.8 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -116.4 140.93 48.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -93.26 144.6 25.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -136.24 128.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.35 118.14 32.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.2 pt -68.48 -16.4 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.92 169.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 45.44 41.64 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -167.32 97.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.44 75.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.24 73.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.34 -38.91 88.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 6.3 mm-40 -61.03 -46.73 89.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -30.35 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -44.2 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LEU . 27.1 m-85 -109.94 -71.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.47 -87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.1 mm? -72.29 -35.42 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.807 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.57 35.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -51.2 -50.46 75.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.08 4.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -115.57 125.84 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.751 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -89.46 114.22 25.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -111.83 166.15 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -130.74 163.58 47.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.1 tp -134.34 145.73 49.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.05 160.79 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.605 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.14 -54.19 21.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 116.29 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -152.48 -172.41 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.4 m-20 -126.72 -172.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.1 -49.73 2.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.99 -21.64 15.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -32.81 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.751 HD11 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -79.45 -39.42 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.6 tpt180 -67.42 -48.96 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 85.9 t90 -74.43 -37.64 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.3 mt -60.79 -43.73 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 53' ' ' ASP . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 27.6 m -146.37 113.17 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -109.51 104.9 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -63.94 137.82 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' HA ' HG13 ' A' ' 48' ' ' VAL . 1.6 pp0? -174.67 142.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.635 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 41.9 t -72.17 -38.28 69.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -56.65 -51.33 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.12 -28.01 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.64 -50.4 44.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.51 -35.0 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -51.22 70.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.71 80.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -59.59 -52.86 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.68 93.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.62 -40.26 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.02 -12.53 59.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 39.98 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.71 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -52.37 -58.77 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.34 -136.08 8.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 154.95 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.01 178.27 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -109.75 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 p -89.02 125.44 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -119.6 134.25 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.07 124.83 47.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG12 HG22 ' A' ' 48' ' ' VAL . 1.4 pt -78.49 -17.5 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.4 p-10 -53.89 146.51 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.3 t0 81.63 -53.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.8 98.84 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.64 81.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.5 -50.34 74.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.2 -35.99 80.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.15 -47.2 83.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.97 68.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.49 -44.86 66.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 30.8 m-85 -108.13 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.81 -78.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.4 mm? -85.45 -27.23 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.754 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -91.92 36.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -53.83 -49.76 87.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.96 73.04 4.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.2 t -118.33 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -95.38 118.89 32.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -119.19 160.37 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.574 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -122.36 171.42 6.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD12 ' A' ' 68' ' ' LEU . 25.5 tp -122.0 144.51 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -56.02 145.67 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -54.92 -58.55 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.025 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 110.97 3.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.85 -171.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.2 m-20 -127.97 -174.36 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.24 -49.46 3.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -21.55 15.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -33.27 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.896 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.35 -39.22 33.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.93 -48.73 65.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.0 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.604 ' CD1' HD13 ' A' ' 59' ' ' LEU . 76.4 t90 -74.82 -36.46 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.08 -44.57 94.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 53' ' ' ASP . 7.9 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 15.8 m -155.05 119.23 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -117.64 102.62 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 56.0 m-85 -63.92 135.16 56.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 19.3 pt20 -143.26 169.12 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.15 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.2 m -51.89 -42.37 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -48.89 63.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.48 -29.86 70.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -45.35 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 67.3 t -61.17 -35.02 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -46.48 87.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.23 88.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -61.47 -56.33 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -46.32 75.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.08 -45.64 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -10.64 60.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 39.11 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.8 -64.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.89 -134.93 6.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.64 154.59 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.37 177.29 11.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -110.71 132.98 53.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -91.45 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -106.79 130.54 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -100.49 123.33 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.8 pt -79.42 -20.03 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -51.66 141.65 16.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 83.15 -50.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.29 101.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.5 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.07 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 44' ' ' TYR . 50.9 mt -66.82 -39.66 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.5 mm-40 -58.77 -44.48 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -28.84 62.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -45.64 48.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.582 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 54.6 m-85 -108.43 -64.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 59.37 -83.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.6 mm? -86.54 -25.64 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.08 36.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.2 t -54.47 -46.6 99.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.94 74.47 3.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.1 t -123.76 124.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -97.36 119.99 36.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.5 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 10.6 ptm180 -117.22 150.3 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.538 ' OD1' ' CZ3' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -111.28 170.22 5.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.1 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 68' ' ' LEU . 21.2 tp -113.56 146.03 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -56.91 143.31 38.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 1.15 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -47.07 -53.68 25.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.98 112.39 3.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.47 -171.34 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.9 m-20 -130.42 -173.94 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.66 -49.79 2.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.98 -21.55 15.79 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 -33.41 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 59' ' ' LEU . 1.1 tp -79.26 -39.37 33.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.9 tpt180 -68.49 -48.93 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.13 65.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' ' OD1' ' A' ' 53' ' ' ASP . 76.9 t90 -73.81 -37.97 64.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 69' ' ' ARG . 48.5 mt -61.48 -45.27 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.0 m -149.64 137.32 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.23 104.34 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -64.33 137.76 58.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -144.23 169.96 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 61' ' ' TRP . 3.9 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 33.6 t -75.94 -44.95 37.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -51.41 -52.62 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -59.75 -29.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.65 -50.41 44.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.3 -39.26 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -51.02 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.38 75.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.66 -56.62 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.67 74.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.26 -42.73 82.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.71 -1.74 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 50.73 39.66 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.773 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -48.12 -67.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.92 -135.61 8.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.42 154.09 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -166.47 -171.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -116.06 153.49 31.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.11 140.0 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.95 137.78 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.9 116.93 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 4.0 pt -70.75 -13.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.82 162.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.7 t0 45.71 51.72 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -172.75 98.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.27 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.94 74.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.75 -39.13 87.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.2 mm-40 -61.23 -44.96 96.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -29.0 62.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.82 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.362 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.2 m-85 -112.05 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.85 -89.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -73.55 -28.6 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -90.98 34.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -58.33 -49.93 90.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 64.26 6.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.2 t -108.41 130.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.926 HD12 HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -96.41 123.05 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -124.64 146.45 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.613 ' OD2' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -114.2 163.94 17.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 52' ' ' ARG . 54.3 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 68' ' ' LEU . 40.3 tp -128.78 146.62 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -63.74 133.9 54.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -43.82 -53.23 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -140.52 -171.4 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.2 m-20 -126.42 -172.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.12 -50.15 2.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.84 15.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.809 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.926 HD11 HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.41 -39.92 31.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.733 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.01 -46.89 73.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.94 67.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.613 ' CZ2' ' OD2' ' A' ' 53' ' ' ASP . 67.4 t90 -72.78 -33.8 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 69' ' ' ARG . 8.7 mt -69.78 -50.06 46.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 m -136.12 109.59 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -111.41 102.26 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 42.0 m-85 -62.84 134.19 55.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -165.88 148.92 7.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 49' ' ' PRO . 6.4 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 t -74.39 -43.06 58.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.13 -45.95 61.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.77 -26.68 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.87 -47.45 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.53 -37.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.55 72.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.6 84.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.754 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -62.56 -57.42 11.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.17 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -39.95 82.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.45 29.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.21 40.1 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.91 -57.71 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.01 -138.72 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.09 154.98 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.61 179.2 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -111.47 140.81 45.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.72 139.89 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -130.02 133.92 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.43 118.84 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.5 pt -71.43 -13.5 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -49.93 165.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.1 51.33 7.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' CB ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -173.59 99.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.46 71.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.43 -49.75 76.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 37' ' ' ASP . 31.5 mt -67.02 -36.2 81.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.4 mm-40 -65.35 -44.74 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -30.74 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.41 58.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 40.1 m-85 -110.97 -66.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 52.46 -89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -70.15 -33.44 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -92.03 32.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -46.63 -50.0 43.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.4 Cg_endo -75.02 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.7 t -116.21 127.28 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.42 130.24 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -130.91 146.81 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -115.32 171.23 4.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 68' ' ' LEU . 17.4 tp -124.79 146.12 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.4 149.2 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -56.35 -52.76 70.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 108.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.07 111.92 3.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.42 -175.58 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.8 m-20 -127.3 -173.01 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.44 -50.14 2.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.5 Cg_endo -74.97 -21.99 15.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -32.17 29.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.899 HD11 HD12 ' A' ' 51' ' ' LEU . 1.1 tp -79.27 -39.85 31.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.9 tpt180 -68.51 -49.43 59.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -31.47 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' A' ' 59' ' ' LEU . 67.5 t90 -73.87 -41.53 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.4 mt -59.02 -49.6 77.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 53' ' ' ASP . 13.8 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.3 m -155.88 110.69 2.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.31 103.75 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 66.9 m-85 -64.13 131.5 47.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -164.83 154.63 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.9 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' HG23 ' A' ' 18' ' ' VAL . 34.8 t -73.28 -44.99 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.268 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -49.03 61.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.91 -35.7 75.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -64.8 -43.45 93.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' CYS . 81.7 t -60.88 -34.98 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -51.1 71.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.69 69.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -57.71 -55.82 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.12 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.49 -10.1 59.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.54 40.35 23.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.663 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -56.27 -61.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.56 -138.66 10.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.15 154.74 17.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -157.36 179.06 9.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -116.92 142.04 47.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.95 142.87 26.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.92 128.47 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -91.43 124.96 36.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -74.48 -15.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.2 p-10 -58.23 148.43 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 8.8 t0 82.05 -53.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.691 ' CB ' HD12 ' A' ' 40' ' ' LEU . 3.0 m-20 -71.4 82.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.18 -39.04 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.22 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CB ' ' A' ' 37' ' ' ASP . 47.1 mt -70.8 -32.66 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.2 mm-40 -66.62 -47.44 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -29.48 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.27 61.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.505 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 32.8 m-85 -104.95 -71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.07 -81.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.9 mm? -81.88 -30.98 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.3 36.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.54 -49.99 79.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 74.03 4.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.8 t -117.37 125.51 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -85.8 114.89 23.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.59 145.38 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.557 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.13 165.75 12.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 71' ' ' TRP . 13.1 tp -135.87 146.79 47.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -65.41 142.86 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -47.39 -53.59 28.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 107.992 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 113.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.64 -171.31 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.471 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -130.58 -175.46 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -75.18 -49.58 4.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -32.38 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.39 -39.78 31.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.3 tpt85 -67.89 -48.56 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.58 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.928 ' CD1' HD13 ' A' ' 59' ' ' LEU . 67.2 t90 -74.12 -32.91 63.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 69' ' ' ARG . 55.1 mt -65.3 -44.42 87.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' ASP . 29.3 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 32' ' ' VAL . 49.6 m -152.4 111.13 3.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.67 116.66 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.2 133.12 40.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.71 142.93 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.7 p -58.02 -23.24 53.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 16' ' ' GLN . 9.0 p-10 -50.25 -50.69 49.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 3.2 mt-30 -64.41 -33.51 76.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.75 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.19 -34.99 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -50.99 68.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.42 79.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.661 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -61.51 -56.98 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.86 74.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.39 -47.48 78.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -10.31 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 59.45 39.98 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.661 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -54.08 -60.97 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.96 -136.64 8.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.43 155.92 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -155.66 178.35 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -114.33 136.92 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.0 p -88.36 135.28 33.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 4' ' ' THR . 80.6 t -127.84 133.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.37 119.4 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -78.3 -16.28 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.73 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 166.96 -35.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.876 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.0 m-20 -111.9 97.01 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.8 -35.02 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.876 HD12 ' HB2' ' A' ' 37' ' ' ASP . 15.4 mt -73.56 -32.96 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' A' ' 34' ' ' ILE . 2.8 mm-40 -67.03 -46.21 75.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -29.2 65.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.38 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' LEU . 17.8 m-85 -103.44 -70.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 54.93 -86.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.4 mm? -75.71 -31.66 59.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.01 35.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -49.22 -49.29 70.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 71.02 5.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.8 t -114.79 126.41 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -93.53 117.19 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.71 165.04 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.596 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -121.17 168.02 11.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' N ' ' NH2' ' A' ' 52' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.827 HD23 HD12 ' A' ' 68' ' ' LEU . 20.5 tp -134.8 143.18 46.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.1 t0 -54.53 160.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.713 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -66.46 -52.87 33.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.95 111.95 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.14 -177.75 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -123.22 -169.99 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.44 -50.75 1.61 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.01 -21.38 15.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -32.36 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.827 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.33 -38.76 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 tpt180 -71.55 -48.23 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.35 60.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.7 ' CG ' HD13 ' A' ' 59' ' ' LEU . 54.7 t90 -69.57 -38.86 77.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' ARG . 25.4 mt -64.11 -52.36 59.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 57.9 m -147.57 105.1 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 21' ' ' LEU . 3.2 tp -114.9 107.4 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -65.41 135.99 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -149.5 164.12 35.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 8.8 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.8 m -76.11 -46.95 26.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 108.289 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -51.05 54.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.45 -32.75 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -71.1 -50.84 29.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.76 -35.49 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -50.44 73.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.65 80.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.625 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -62.33 -57.7 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.46 -49.41 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -10.27 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 39.99 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -48.72 -62.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.3 -136.54 8.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.09 157.35 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -166.41 -179.13 4.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -102.27 134.85 44.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -98.91 129.81 45.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -118.56 136.81 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -100.51 123.95 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.6 pt -77.76 -13.55 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -58.6 143.62 45.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.6 t0 80.42 -53.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.606 ' CB ' HD12 ' A' ' 40' ' ' LEU . 5.7 m-20 -68.78 84.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.68 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.2 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 37' ' ' ASP . 35.5 mt -70.2 -31.2 68.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.2 mt-10 -67.25 -49.38 64.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -28.97 62.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.1 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' LEU . 35.3 m-85 -108.42 -67.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.22 -84.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -78.52 -28.34 46.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.07 35.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -55.25 -47.97 97.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.96 67.73 5.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.5 t -111.95 135.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 3' ' ' LEU . 1.2 mt -107.54 122.67 47.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.493 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -130.84 143.02 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' CG ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -129.8 171.02 9.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.059 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 68' ' ' LEU . 40.8 tp -123.0 147.04 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -52.44 161.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.605 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.43 -51.71 31.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -75.01 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -159.49 175.33 13.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -113.88 -174.07 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.64 -49.48 2.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -33.07 31.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.32 -36.65 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -71.4 -47.98 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.8 67.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 78.5 t90 -70.24 -40.62 74.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 107.98 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 69' ' ' ARG . 21.9 mt -59.34 -48.21 82.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' HG1' ' A' ' 4' ' ' THR . 5.3 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.503 ' CG2' HG21 ' A' ' 32' ' ' VAL . 41.5 m -152.78 105.66 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -102.76 105.71 16.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -63.79 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 48' ' ' VAL . 3.0 pt20 -168.35 153.91 6.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.568 ' HE ' HG21 ' A' ' 48' ' ' VAL . 31.4 ptt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.9 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.7 t -76.36 -44.93 34.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.87 -52.45 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.97 -31.67 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.73 -51.01 24.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -36.49 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -50.96 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.64 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 51' ' ' LEU . 3.7 mt -62.22 -59.2 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.6 74.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.02 -41.06 82.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -78.55 -10.57 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.67 40.3 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.69 -40.02 62.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -138.1 12.51 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.21 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -157.83 -178.17 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -117.52 145.79 43.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.48 141.86 30.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 4' ' ' THR . 99.6 t -138.24 138.88 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.87 128.92 54.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 48' ' ' VAL . 1.2 pt -82.77 -0.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -85.66 49.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -167.96 32.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.68 96.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.37 -32.13 10.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.26 86.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.13 -32.3 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.3 mm-40 -68.04 -45.43 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.5 63.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LEU . 15.1 m-85 -112.65 -72.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 63.84 -74.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.7 mm? -93.49 -25.02 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.803 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -92.36 39.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.5 t -56.41 -44.6 99.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -111.37 138.23 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.18 130.85 54.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 2.3 ptm180 -128.68 154.5 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -120.14 166.19 15.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -124.35 144.19 50.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -64.33 134.02 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -42.85 -52.47 11.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.03 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -144.54 -177.09 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 m-20 -124.67 -172.64 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.06 -50.07 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.98 -26.24 11.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -31.01 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -79.33 -40.2 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.2 tpt180 -68.89 -50.41 49.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.43 -31.99 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 59' ' ' LEU . 69.8 t90 -72.0 -38.37 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 107.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 69' ' ' ARG . 57.0 mt -62.22 -53.11 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.504 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 20.2 m -156.13 107.01 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tp -103.27 105.12 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -64.71 134.99 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.474 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 1.4 pp0? -170.13 141.81 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.5 tp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' CB ' ' A' ' 7' ' ' GLN . 41.1 t -75.38 -40.49 57.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -50.42 74.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.42 -28.73 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.93 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 95.9 t -59.99 -35.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.09 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.45 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.7 mt -60.18 -56.62 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.97 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.6 -42.39 83.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.17 -9.21 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 40.06 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.79 -56.82 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.73 -139.19 11.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.27 154.46 20.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -161.09 -174.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -118.52 144.13 46.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.0 139.93 37.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.86 138.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -102.68 123.79 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -77.52 -14.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.4 149.59 20.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.1 t0 81.58 -53.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.75 102.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.44 69.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.54 -38.31 86.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.5 mm-40 -60.48 -45.49 93.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -29.22 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.76 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LEU . 47.7 m-85 -110.54 -72.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.74 -72.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -93.97 -24.56 17.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -93.82 39.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -56.04 -50.14 89.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -74.99 74.13 4.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.6 t -117.05 130.38 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.44 114.38 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.53 162.78 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.608 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -129.12 166.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.5 tp -123.59 147.18 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -57.86 144.24 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.596 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.6 -58.41 14.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 105.89 2.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -141.73 -171.54 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -126.64 -172.31 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.46 -50.0 2.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -74.98 -21.32 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -31.96 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.885 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.42 -39.36 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.67 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.9 tpt85 -70.71 -49.64 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.47 -30.64 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 79.3 t90 -74.43 -37.92 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 69' ' ' ARG . 7.2 mt -63.03 -46.14 88.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 52' ' ' ARG . 1.2 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 91.4 m -156.13 113.73 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.57 120.81 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 39.5 m-85 -80.52 135.63 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.487 ' OE1' ' CE2' ' A' ' 33' ' ' PHE . 4.6 pt20 -127.93 169.64 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.743 ' HB3' HG21 ' A' ' 48' ' ' VAL . 24.2 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.83 HD23 ' HG3' ' A' ' 49' ' ' PRO . 13.2 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.8 m -69.5 -27.25 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.88 -57.46 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.72 -23.27 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 -50.24 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' CYS . 97.0 t -57.28 -36.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.85 -51.02 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.14 74.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -59.15 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.68 -45.45 77.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.38 -43.19 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . . . -77.54 -1.02 28.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 50.0 39.95 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.08 -59.99 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.13 -141.85 12.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.88 155.27 17.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -163.6 179.18 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -113.97 137.59 51.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -104.22 133.82 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.0 125.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' OE1' ' A' ' 7' ' ' GLN . 78.6 m-85 -84.4 125.82 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 41' ' ' GLU . 3.5 pt -79.85 -15.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 22.7 t0 -53.98 140.59 30.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.2 t0 82.14 -53.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.55 99.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -30.57 70.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.07 76.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.33 -32.84 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.7 mm-40 -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -28.55 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -43.15 66.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 6' ' ' TYR . 41.6 m-85 -114.31 -66.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.59 -83.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.8 mm? -82.62 -26.65 32.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.62 35.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -57.07 -49.36 94.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.83 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 74.12 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.3 t -122.5 125.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.84 114.78 26.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.693 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -115.16 163.94 14.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.5 169.63 9.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.965 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.1 pp20? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 68' ' ' LEU . 17.9 tp -127.5 146.71 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.27 151.1 20.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.717 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.15 -54.39 50.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.051 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -150.6 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.485 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 m-20 -134.56 177.58 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -68.88 -49.6 26.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -74.99 -24.44 12.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -32.86 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 51' ' ' LEU . 1.1 tp -79.32 -35.97 40.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -71.16 -49.31 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.6 -30.28 54.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 59' ' ' LEU . 63.6 t90 -73.15 -43.65 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 3' ' ' LEU . 30.7 mt -58.58 -51.12 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 28.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.8 m -155.78 105.76 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.77 111.69 23.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.92 136.15 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' HG13 ' A' ' 48' ' ' VAL . 13.8 pt20 -164.61 142.79 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 12.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.1 p -74.98 -37.9 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.31 -54.87 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -22.94 59.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -75.59 -50.2 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.29 -35.93 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.9 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.45 79.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -64.0 -57.74 8.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.97 -44.16 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -56.96 -43.77 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 39.96 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -49.34 -49.26 45.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.51 -139.64 11.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.76 154.97 17.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -162.17 -177.53 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -108.83 132.94 53.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -101.43 132.46 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.56 136.27 58.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -96.46 120.76 37.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 41' ' ' GLU . 1.3 pt -78.21 -20.96 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.3 p30 -51.1 145.79 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.5 t0 81.93 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.44 91.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.46 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.53 83.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.18 -33.29 71.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.0 mm-40 -65.71 -46.25 79.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -29.02 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.83 -43.19 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LEU . 29.1 m-85 -108.05 -69.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.01 -81.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -83.0 -29.17 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.18 36.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.52 -49.34 94.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HB2' ' CE3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.03 70.93 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.9 t -117.18 134.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -105.8 135.2 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.44 141.74 41.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.68 161.1 55.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.3 tp -112.64 147.33 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -50.17 159.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -64.58 -53.0 48.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -159.25 171.6 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -111.75 -174.03 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.69 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.73 -49.43 2.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.02 -22.11 15.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -33.09 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.42 -39.44 32.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -68.98 -50.14 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.87 -30.89 62.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 83.2 t90 -75.33 -34.42 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.67 -135.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.55 176.69 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -156.04 110.79 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.56 102.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 85.1 m-85 -68.69 137.31 54.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.15 166.51 23.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HB3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -136.51 173.59 11.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.46 158.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t0 62.83 143.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.48 121.68 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -174.65 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' A' ' 49' ' ' PRO . 19.1 tp -67.69 -44.15 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.2 p -75.14 -27.06 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.9 -53.68 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.61 -34.4 69.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -62.75 -50.31 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.64 -35.97 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -48.56 81.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.09 88.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -62.98 -56.01 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.4 -47.15 76.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.52 -46.55 86.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -11.99 57.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 39.33 13.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.718 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.46 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.61 -138.03 9.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.86 154.8 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -164.23 -178.92 5.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -113.59 136.93 52.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.36 140.24 35.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.8 t -127.28 130.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -95.25 124.7 39.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.8 pt -82.63 -18.17 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.32 75.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 168.96 -32.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.603 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.3 m-20 -114.36 106.38 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.87 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.03 77.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' HB2' ' A' ' 37' ' ' ASP . 42.5 mt -70.27 -37.91 74.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -61.92 -44.84 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -36.51 76.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.26 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 24.6 m-85 -100.6 -71.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 61.09 -81.47 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.8 mm? -83.8 -30.66 26.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.789 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -90.5 37.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -52.28 -49.71 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.99 73.53 4.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.3 t -117.74 126.12 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -93.2 120.17 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 31.4 ttt85 -115.25 150.42 36.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -116.63 164.09 19.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.46 15.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.64 95.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.49 45.82 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 17.4 mtp180 -142.99 166.35 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.5 162.38 33.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 71' ' ' TRP . 21.5 tp -124.22 143.77 50.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -58.58 149.29 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.581 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -57.92 -53.68 63.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.016 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 111.76 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.84 -173.11 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -127.15 -172.62 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.13 -49.84 2.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -31.57 40.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.44 -38.24 35.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 72' ' ' LEU . 5.7 tpt85 -68.55 -50.36 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.82 61.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.614 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 87.8 t90 -75.01 -35.9 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.0 mt -65.98 -51.43 58.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.06 -30.57 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -52.39 -26.01 11.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -126.44 165.83 25.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.04 178.14 7.67 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -138.17 177.19 8.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.47 0.176 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.88 179.21 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 51' ' ' LEU . 1.5 mt -64.45 -177.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.503 HG21 ' HE ' ' A' ' 52' ' ' ARG . 5.0 m -155.52 112.45 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tp -114.21 114.27 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 34' ' ' ILE . 31.8 m-85 -72.53 133.62 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -144.09 170.09 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -117.29 35.57 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.48 94.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.47 111.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 t -163.68 151.1 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 108.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -70.11 -52.98 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.702 HD23 ' CD ' ' A' ' 49' ' ' PRO . 4.1 tp -53.94 -39.19 65.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 15.6 t -76.1 -43.57 42.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -50.91 -53.14 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.99 -31.74 65.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.4 -44.35 65.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.85 -37.91 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -51.0 71.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.4 83.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -64.61 -55.76 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.9 88.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.32 -44.23 84.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.02 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.03 39.6 31.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.07 -57.29 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -137.69 9.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.63 154.67 19.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -162.17 -178.23 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -105.04 139.7 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -100.48 134.52 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.15 127.89 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -91.05 125.97 36.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 6' ' ' TYR . 1.2 pt -82.99 -15.84 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.4 p-10 -56.93 145.57 29.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 82.26 -52.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.98 97.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.31 77.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.77 80.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.7 mt -68.8 -34.78 76.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.8 mm-40 -64.58 -46.98 80.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -29.8 65.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.88 64.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.0 m-85 -107.9 -70.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.18 -77.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.5 mm? -89.79 -26.81 20.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.76 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.4 37.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -56.05 -48.2 97.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.702 ' CD ' HD23 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 69.5 5.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 47' ' ' ARG . 8.0 t -116.02 126.49 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.18 120.48 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HE ' HG21 ' A' ' 4' ' ' THR . 1.1 ptt85 -119.06 144.4 46.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.31 9.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -57.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -115.1 -16.36 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -75.67 -17.28 80.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 23.8 mtp180 80.59 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 3.1 mp0 -105.99 133.82 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 68' ' ' LEU . 34.6 tp -99.58 146.96 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.0 t0 -56.79 162.44 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.606 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -69.02 -52.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.03 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -154.32 176.81 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.7 m-20 -114.92 -173.57 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.85 -49.54 2.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.07 -19.68 17.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.29 27.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.19 -34.97 42.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.0 tpt180 -72.41 -52.05 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.07 64.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.665 ' CD1' HD13 ' A' ' 59' ' ' LEU . 75.9 t90 -64.93 -39.72 93.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 69' ' ' ARG . 16.5 mt -61.84 -49.5 76.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -68.15 -36.51 79.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -40.52 -34.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.97 64.43 4.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -127.74 -66.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.494 0.187 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 -157.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -72.21 -175.16 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 96.7 m -156.05 110.66 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp -111.47 105.52 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -66.37 135.38 54.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -154.81 155.16 33.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.621 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -152.83 120.28 5.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 48.9 80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -41.2 114.91 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.89 -59.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -172.58 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 49' ' ' PRO . 7.2 tp -48.33 -35.75 12.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.16 -39.46 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -52.76 64.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.17 -29.15 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -50.17 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.33 -35.01 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -51.06 70.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.35 -40.14 77.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -60.23 -56.87 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.48 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.58 -38.38 81.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.23 -5.69 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.63 39.56 31.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.77 -55.25 17.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.14 -148.12 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.39 154.92 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -162.84 -179.2 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.16 148.0 27.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.11 139.54 45.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.0 t -129.84 137.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.03 118.65 36.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.521 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.4 pt -70.68 -12.48 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -59.57 172.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.48 35.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.15 94.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.69 84.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -68.74 -37.95 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.7 mm-40 -62.21 -45.49 93.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -30.15 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.02 66.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' LEU . 24.2 m-85 -111.62 -69.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.99 -83.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.9 mm? -79.66 -30.92 41.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -90.44 36.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.621 HG21 ' HG2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -55.16 -49.53 91.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 73.84 4.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 47' ' ' ARG . 7.3 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.75 126.08 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 3' ' ' LEU . 7.5 ptm180 -125.84 150.63 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.594 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -110.67 166.34 10.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.29 9.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.452 ' HG3' ' CD ' ' A' ' 76' ' ' PRO . 0.9 OUTLIER -58.34 -40.01 81.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.45 41.58 0.35 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -141.08 155.45 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.767 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.55 148.8 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.995 HD23 HD12 ' A' ' 68' ' ' LEU . 15.7 tp -105.93 143.05 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -55.07 155.25 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.583 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -59.79 -53.74 62.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.64 -173.71 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.5 m-20 -128.49 -173.88 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.8 -49.67 2.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.75 15.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -33.28 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.995 HD12 HD23 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -79.06 -40.25 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.13 -46.71 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.78 -32.96 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.594 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 77.4 t90 -75.08 -39.83 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 68' ' ' LEU . 2.8 mm? -52.08 -53.88 37.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 75' ' ' ALA . 1.5 m-20 -60.08 -42.09 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -46.87 -25.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -123.12 165.8 20.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.07 178.63 7.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' NE2' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -137.05 166.53 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttm . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.491 0.186 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.37 -166.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 53' ' ' ASP . 14.1 mt -68.65 174.66 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.7 m -155.75 107.94 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -109.04 101.54 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 98.1 m-85 -65.24 133.27 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -140.53 168.45 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.475 ' HG2' HG11 ' A' ' 48' ' ' VAL . 8.1 ptt180 -136.94 178.21 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -46.67 -65.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -48.73 115.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -111.1 113.18 25.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -167.73 -66.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.592 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.649 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp -69.79 -34.23 73.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -74.23 -35.54 63.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -56.44 -40.06 74.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.63 -26.95 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -51.06 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.95 -37.39 41.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.94 -50.83 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.96 80.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.16 -55.76 29.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.92 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -56.96 -43.92 82.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.3 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.29 39.72 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.794 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.01 -44.81 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.53 -137.66 14.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 154.47 17.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -162.44 -175.0 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.01 143.38 40.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.89 139.58 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -133.17 132.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -103.31 119.7 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -71.53 -15.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.8 p-10 -56.72 140.48 47.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.6 t0 81.95 -53.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.03 102.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.14 74.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.03 71.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.9 -34.93 78.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.77 -47.65 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -28.99 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.63 65.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HE1' HG11 ' A' ' 50' ' ' VAL . 59.5 m-85 -110.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 66.14 -71.75 0.14 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -93.76 -29.75 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.11 37.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 t -53.26 -48.67 91.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.649 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.03 74.56 3.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' ARG . 12.0 t -121.83 124.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -95.16 127.15 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -128.05 151.04 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.677 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -106.65 168.34 8.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.4 10.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -44.37 93.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.81 45.17 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -141.66 157.09 45.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.769 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -137.86 165.04 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.818 HD23 HD12 ' A' ' 68' ' ' LEU . 20.3 tp -122.42 146.92 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -61.3 141.81 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.591 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -45.7 -53.4 20.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 107.979 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 111.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.43 -173.11 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -128.29 -173.23 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.04 -49.89 2.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -22.45 14.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -32.49 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.818 HD12 HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -79.45 -39.48 32.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.654 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -70.23 -48.06 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -30.66 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.7 t90 -74.67 -38.62 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 69' ' ' ARG . 14.9 mt -61.66 -47.47 85.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -66.19 -34.66 78.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -51.94 -22.55 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.73 138.07 1.05 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 77' ' ' HIS . 18.3 Cg_endo -75.0 171.18 18.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.4 OUTLIER 38.46 89.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.491 0.186 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.58 -169.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' ASP . 36.1 mt -60.42 177.01 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -155.09 114.95 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.07 101.04 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 79.7 m-85 -65.83 134.26 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -167.26 160.11 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.6 107.07 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.07 147.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 125.59 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.63 -66.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.15 -59.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 49' ' ' PRO . 3.0 tp -45.06 -45.75 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 t -68.36 -43.0 78.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -53.36 -43.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.9 -38.56 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.87 84.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.01 -38.79 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.83 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.98 74.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD21 HD21 ' A' ' 51' ' ' LEU . 4.9 mt -58.97 -58.73 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -46.68 74.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.33 -42.94 82.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -10.18 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 39.76 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.42 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.76 -141.1 13.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.58 154.43 20.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -161.12 -172.87 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.31 153.23 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -117.89 144.52 45.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -137.4 132.21 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -93.59 130.27 39.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.1 pt -85.23 -19.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.5 t0 -55.82 141.56 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 11.4 t0 81.84 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.19 94.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.48 75.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.86 83.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.85 -33.74 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -66.04 -47.28 74.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -30.1 64.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.89 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 14.4 m-85 -115.08 -73.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.2 -74.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -90.08 -31.79 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -89.76 36.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -51.64 -49.1 84.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 74.4 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.6 t -115.65 125.6 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.29 114.26 26.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.5 ttt180 -111.26 151.13 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.688 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.94 168.77 7.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.25 15.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.479 ' SD ' ' CD ' ' A' ' 76' ' ' PRO . 13.1 mtp -70.4 -45.59 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.36 49.65 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.78 154.51 50.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -128.37 153.22 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 68' ' ' LEU . 22.9 tp -124.64 145.08 49.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 1.2 t0 -58.49 152.19 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.597 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -61.02 -53.07 67.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.994 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.65 -175.63 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -124.97 -172.85 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.38 -49.72 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.0 -21.67 15.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -32.91 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.898 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.38 -39.35 32.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.623 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -67.85 -48.0 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.54 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.472 ' CD1' HD13 ' A' ' 59' ' ' LEU . 82.6 t90 -74.44 -40.07 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.047 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.7 mt -64.44 -52.27 58.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.26 -38.1 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -123.61 169.56 10.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo -75.01 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -138.84 177.35 7.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.496 0.189 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.76 171.44 14.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 53' ' ' ASP . 4.2 mt -115.4 -179.45 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.3 m -148.81 106.84 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 14' ' ' CYS . 1.7 tp -106.38 121.1 43.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -81.89 139.36 34.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.43 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 15.1 pt20 -135.57 165.16 26.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HB2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -123.22 35.06 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 3.6 t0 78.06 -56.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' ASP . 7.5 t0 -40.48 119.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -94.74 71.43 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -150.8 -78.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.29 -45.52 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 10.8 t -76.03 -35.92 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.33 -54.68 28.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.92 -24.87 62.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.78 -46.86 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.52 -35.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -51.04 71.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.85 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 51' ' ' LEU . 2.4 mt -59.43 -58.69 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.1 75.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.81 -40.81 80.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -1.77 32.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.6 39.64 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.11 -68.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.4 -136.41 5.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.71 154.39 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -162.15 179.3 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -114.32 147.14 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -104.09 134.93 46.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.39 136.78 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -102.96 117.79 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.5 pt -71.27 -8.33 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -80.41 66.81 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -177.46 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.824 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.1 m-20 -107.54 109.26 20.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.62 69.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.02 86.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 37' ' ' ASP . 16.4 mt -72.54 -32.24 65.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.9 mm-40 -67.43 -47.6 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -29.25 62.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.73 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 32.6 m-85 -106.69 -70.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 65.13 -72.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.4 -24.71 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.747 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.63 37.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.3 t -56.34 -45.55 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.96 67.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.4 t -116.66 124.76 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.584 HD13 HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -92.36 119.13 31.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -107.75 150.67 26.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -119.68 162.43 32.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -18.57 18.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.59 -39.71 84.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.0 44.6 0.4 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.46 ' HD2' ' CG ' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -138.78 170.34 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -141.59 143.27 33.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.777 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -105.75 146.27 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 t0 -63.45 148.8 47.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -56.12 -54.26 54.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 107.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -152.85 -171.36 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -131.14 -172.96 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.99 -49.99 2.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.01 -24.33 12.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -32.54 42.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.23 -39.84 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 72' ' ' LEU . 8.2 tpt180 -69.8 -49.11 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.52 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.777 ' CE3' HD12 ' A' ' 59' ' ' LEU . 66.2 t90 -71.32 -39.07 71.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 69' ' ' ARG . 43.2 mt -65.2 -50.87 64.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -41.49 -33.48 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 39.67 86.45 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.46 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 18.4 Cg_endo -74.99 171.25 18.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -66.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.464 0.174 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.75 137.04 37.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.72 -178.03 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.4 m -139.11 106.61 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.92 102.41 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 71.2 m-85 -66.11 143.09 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.663 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.9 pt20 -173.15 151.83 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.03 90.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.31 117.48 14.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -108.81 -45.47 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.6 t-80 -167.23 -60.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 1.0 OUTLIER -44.92 -43.08 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.37 -39.3 68.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' HIS . 4.1 t70 -54.6 -37.77 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.05 -39.33 90.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -59.07 -49.82 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.23 -35.15 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -50.19 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.66 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.86 -59.23 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.46 72.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.47 -50.68 71.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -67.54 -13.47 62.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 38.56 7.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.17 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.71 -137.08 8.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.65 154.55 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.11 -179.91 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -112.29 142.9 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.35 142.19 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.17 134.34 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -100.45 135.32 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 pt -89.04 -15.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.4 166.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 41.62 58.82 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.45 94.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.59 77.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.89 -45.98 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -30.92 65.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' GLY . 22.9 mt-10 -67.18 -49.47 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -29.43 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.29 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 62.0 m-85 -116.56 -66.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 48' ' ' VAL . . . 63.05 -76.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.2 mm? -95.59 -22.84 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -93.07 38.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 7' ' ' GLN . 2.5 t -64.47 -44.85 76.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 60.82 5.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 47' ' ' ARG . 22.5 t -109.52 124.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.65 118.27 25.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 9.7 ttt180 -111.92 148.99 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -118.04 163.18 25.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.01 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.22 -44.92 90.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.15 49.3 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 8.4 mtm180 -141.18 161.42 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE2' ' CG1' ' A' ' 50' ' ' VAL . 5.1 mt-10 -135.95 145.1 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.6 tp -117.07 143.67 45.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 44.1 p30 -52.85 161.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -70.06 -54.8 9.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.004 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.425 ' CD2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -153.72 -173.14 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.4 m-20 -125.29 -172.27 2.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.33 -49.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.05 -21.87 15.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.0 27.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.45 -39.09 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.791 ' HA ' HD12 ' A' ' 72' ' ' LEU . 7.5 tpt180 -71.89 -49.07 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -54.91 -29.94 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 66.1 t90 -71.19 -37.77 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 108.024 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 69' ' ' ARG . 5.6 mt -66.02 -49.66 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ALA . 33.5 t0 -68.79 -36.5 78.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -40.28 -33.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.557 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . 56.13 166.56 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo -74.99 177.08 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.5 -70.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.292 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.447 0.165 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.2 179.63 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 53' ' ' ASP . 34.3 mt -71.07 177.7 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.4 m -155.08 113.2 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.48 102.33 10.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -64.07 134.54 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -166.39 148.42 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -138.71 123.29 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.19 101.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -40.23 118.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.47 168.97 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -44.83 71.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.5 OUTLIER -57.45 -30.98 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.6 m -75.38 -47.56 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -34.9 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -31.21 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 -48.0 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.66 -37.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -51.03 71.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.39 80.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 51' ' ' LEU . 4.2 mt -62.18 -57.93 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.32 -44.44 79.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.238 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.49 61.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.02 40.02 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.71 57.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.7 -140.58 11.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 156.07 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.47 179.76 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -112.53 140.64 47.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -92.85 129.84 38.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -125.59 127.1 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.55 122.07 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.592 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -75.94 -17.82 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.48 78.26 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.05 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.2 m-20 -108.94 96.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.6 -36.72 25.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.78 84.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 37' ' ' ASP . 24.2 mt -71.94 -35.56 69.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.37 -46.15 81.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -29.0 63.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.54 59.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 12.8 m-85 -106.37 -74.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.17 -74.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.6 mm? -90.15 -28.45 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -92.38 38.3 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -52.41 -49.3 86.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.08 74.26 4.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.2 t -116.61 126.67 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -95.36 119.14 33.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -115.43 163.76 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.8 168.77 13.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.45 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.449 ' HG3' ' CD ' ' A' ' 76' ' ' PRO . 1.1 mtp -60.46 -40.12 90.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.3 40.82 0.46 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -139.44 159.26 42.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.7 pp20? -138.24 166.33 24.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 68' ' ' LEU . 29.1 tp -125.16 146.66 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.57 157.73 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.608 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -63.71 -54.81 39.1 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 108.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 116.34 4.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -155.02 177.52 11.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -115.27 -172.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.03 -49.59 1.94 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -31.52 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -79.32 -40.69 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -45.84 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -31.97 60.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.633 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 77.6 t90 -75.53 -40.11 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 68' ' ' LEU . 3.4 mm? -51.61 -53.65 36.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -58.79 -38.48 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -48.73 -24.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -123.71 162.59 39.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo -75.02 170.88 19.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.37 151.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.498 0.189 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.03 167.13 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.66 -178.03 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.475 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 73.4 m -156.0 115.72 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -110.85 108.91 18.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -69.76 128.63 37.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.51 152.2 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -124.44 116.86 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.55 173.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.85 125.47 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 173.08 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 108.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -74.57 -53.7 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.8 OUTLIER -49.93 -40.55 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -70.32 -39.95 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -57.67 -37.67 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.12 -32.82 74.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -69.96 -50.32 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.11 -35.3 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.39 74.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.16 80.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD21 HD21 ' A' ' 51' ' ' LEU . 3.9 mt -59.27 -57.22 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.56 71.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.32 -49.08 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.05 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.55 38.94 7.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.71 -62.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.16 -136.86 8.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.68 154.7 17.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -161.64 -177.8 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -116.4 140.93 48.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -93.26 144.6 25.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -136.24 128.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.35 118.14 32.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.2 pt -68.48 -16.4 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.92 169.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 45.44 41.64 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -167.32 97.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.44 75.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.24 73.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.34 -38.91 88.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 6.3 mm-40 -61.03 -46.73 89.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -30.35 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -44.2 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LEU . 27.1 m-85 -109.94 -71.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.47 -87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.1 mm? -72.29 -35.42 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.807 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.57 35.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -51.2 -50.46 75.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.08 4.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -115.57 125.84 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.751 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -89.46 114.22 25.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -111.83 166.15 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -130.74 163.58 47.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.32 17.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.9 mmm -67.55 -41.65 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 50.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.71 159.67 41.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -135.54 162.36 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.1 tp -134.34 145.73 49.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.05 160.79 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.605 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.14 -54.19 21.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 116.29 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -152.48 -172.41 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.4 m-20 -126.72 -172.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.1 -49.73 2.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.99 -21.64 15.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -32.81 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.751 HD11 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -79.45 -39.42 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.6 tpt180 -67.42 -48.96 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 85.9 t90 -74.43 -37.64 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.3 mt -60.79 -43.73 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 -6.82 53.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -90.03 -20.4 23.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -49.69 -54.77 28.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.03 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' PRO . 10.7 t-80 88.25 -43.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.501 0.191 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.92 161.97 13.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 53' ' ' ASP . 1.3 mt -124.12 -175.65 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 27.6 m -146.37 113.17 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -109.51 104.9 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -63.94 137.82 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' HA ' HG13 ' A' ' 48' ' ' VAL . 1.6 pp0? -174.67 142.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 123.78 25.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.0 t70 64.31 129.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -44.72 117.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 163.51 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -78.5 -57.09 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.603 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.635 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp -45.62 -41.1 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 41.9 t -72.17 -38.28 69.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' HIS . 30.4 t0 -56.65 -51.33 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.12 -28.01 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.64 -50.4 44.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.51 -35.0 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -51.22 70.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.71 80.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -59.59 -52.86 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.68 93.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.62 -40.26 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.02 -12.53 59.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 39.98 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.71 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -52.37 -58.77 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.34 -136.08 8.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 154.95 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.01 178.27 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -109.75 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 p -89.02 125.44 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -119.6 134.25 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.07 124.83 47.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG12 HG22 ' A' ' 48' ' ' VAL . 1.4 pt -78.49 -17.5 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.4 p-10 -53.89 146.51 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.3 t0 81.63 -53.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.8 98.84 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.64 81.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.5 -50.34 74.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.2 -35.99 80.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.15 -47.2 83.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.97 68.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.49 -44.86 66.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 30.8 m-85 -108.13 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.81 -78.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.4 mm? -85.45 -27.23 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.754 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -91.92 36.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -53.83 -49.76 87.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.96 73.04 4.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.2 t -118.33 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -95.38 118.89 32.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -119.19 160.37 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.574 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -122.36 171.42 6.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.5 12.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.812 ' SD ' ' HB1' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -60.11 -40.99 91.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 110.992 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.74 46.33 0.32 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.09 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.1 mtt-85 -142.93 174.75 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -145.7 162.27 37.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD12 ' A' ' 68' ' ' LEU . 25.5 tp -122.0 144.51 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -56.02 145.67 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.572 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -54.92 -58.55 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.025 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 110.97 3.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.85 -171.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.2 m-20 -127.97 -174.36 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.24 -49.46 3.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -21.55 15.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -33.27 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.896 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.35 -39.22 33.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.93 -48.73 65.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.0 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.604 ' CD1' HD13 ' A' ' 59' ' ' LEU . 76.4 t90 -74.82 -36.46 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.08 -44.57 94.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -8.7 55.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.83 -17.3 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.812 ' HB1' ' SD ' ' A' ' 55' ' ' MET . . . -53.46 -51.65 73.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.03 -174.86 2.1 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -64.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.51 0.195 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.29 178.28 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 53' ' ' ASP . 7.9 mt -95.29 -177.48 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 15.8 m -155.05 119.23 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -117.64 102.62 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 56.0 m-85 -63.92 135.16 56.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 19.3 pt20 -143.26 169.12 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -147.14 114.6 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 48.75 39.31 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 t0 43.78 86.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t -77.04 132.7 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -31.66 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.15 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.7 OUTLIER -70.85 -42.42 70.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' CYS . 98.2 m -51.89 -42.37 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -48.89 63.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.48 -29.86 70.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -45.35 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 67.3 t -61.17 -35.02 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -46.48 87.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.23 88.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -61.47 -56.33 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -46.32 75.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.08 -45.64 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -10.64 60.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 39.11 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.8 -64.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.89 -134.93 6.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.64 154.59 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.37 177.29 11.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -110.71 132.98 53.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -91.45 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -106.79 130.54 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -100.49 123.33 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.8 pt -79.42 -20.03 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -51.66 141.65 16.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 83.15 -50.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.29 101.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.5 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.07 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 44' ' ' TYR . 50.9 mt -66.82 -39.66 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.5 mm-40 -58.77 -44.48 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -28.84 62.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -45.64 48.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 54.6 m-85 -108.43 -64.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 59.37 -83.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.6 mm? -86.54 -25.64 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.08 36.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.2 t -54.47 -46.6 99.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.94 74.47 3.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.1 t -123.76 124.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -97.36 119.99 36.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.5 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 10.6 ptm180 -117.22 150.3 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.538 ' OD1' ' CZ3' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -111.28 170.22 5.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.14 9.37 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.8 mmt -57.5 -40.42 78.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.65 46.74 0.26 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -154.65 166.57 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -139.84 162.89 34.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 68' ' ' LEU . 21.2 tp -113.56 146.03 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -56.91 143.31 38.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 1.15 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -47.07 -53.68 25.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.98 112.39 3.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.47 -171.34 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.9 m-20 -130.42 -173.94 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.66 -49.79 2.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.98 -21.55 15.79 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 -33.41 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 59' ' ' LEU . 1.1 tp -79.26 -39.37 33.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.9 tpt180 -68.49 -48.93 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.13 65.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' ' OD1' ' A' ' 53' ' ' ASP . 76.9 t90 -73.81 -37.97 64.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 69' ' ' ARG . 48.5 mt -61.48 -45.27 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -6.96 50.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.11 -18.77 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.792 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -54.19 -53.32 60.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.05 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.03 26.81 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.645 ' N ' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.487 0.184 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.89 -146.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -82.2 -175.2 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.0 m -149.64 137.32 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.23 104.34 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -64.33 137.76 58.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -144.23 169.96 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.47 173.63 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -41.13 -42.39 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.7 117.05 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.7 m -95.9 -175.94 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 108.322 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.7 m80 73.16 -66.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 61' ' ' TRP . 3.9 tp -53.81 -45.72 70.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 33.6 t -75.94 -44.95 37.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -51.41 -52.62 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -59.75 -29.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.65 -50.41 44.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.3 -39.26 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -51.02 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.38 75.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.66 -56.62 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.67 74.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.26 -42.73 82.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.71 -1.74 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 50.73 39.66 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.773 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -48.12 -67.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.92 -135.61 8.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.42 154.09 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -166.47 -171.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CZ ' ' N ' ' A' ' 1' ' ' MET . 9.6 m-85 -116.06 153.49 31.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.11 140.0 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.95 137.78 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.9 116.93 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 4.0 pt -70.75 -13.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.82 162.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.7 t0 45.71 51.72 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -172.75 98.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.27 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.94 74.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.75 -39.13 87.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.2 mm-40 -61.23 -44.96 96.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -29.0 62.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.82 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.362 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.2 m-85 -112.05 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.85 -89.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -73.55 -28.6 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -90.98 34.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -58.33 -49.93 90.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 64.26 6.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.2 t -108.41 130.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.926 HD12 HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -96.41 123.05 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -124.64 146.45 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.613 ' OD2' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -114.2 163.94 17.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -16.83 20.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.23 44.68 0.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 1.5 mtp-105 -145.29 156.85 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 52' ' ' ARG . 54.3 mt-10 -134.51 168.73 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 68' ' ' LEU . 40.3 tp -128.78 146.62 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -63.74 133.9 54.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -43.82 -53.23 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -140.52 -171.4 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.2 m-20 -126.42 -172.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.12 -50.15 2.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.84 15.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.809 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.926 HD11 HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.41 -39.92 31.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.733 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.01 -46.89 73.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.94 67.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.613 ' CZ2' ' OD2' ' A' ' 53' ' ' ASP . 67.4 t90 -72.78 -33.8 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 69' ' ' ARG . 8.7 mt -69.78 -50.06 46.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -32.3 63.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -52.91 -24.9 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.05 95.38 39.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.51 18.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 178.08 148.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.469 0.176 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.81 123.58 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.18 -177.48 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 m -136.12 109.59 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -111.41 102.26 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 42.0 m-85 -62.84 134.19 55.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -165.88 148.92 7.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -133.37 115.01 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' ARG . 1.7 t0 61.31 121.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' ASP . 12.0 t70 -40.35 109.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.53 155.11 39.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.04 -37.28 84.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 49' ' ' PRO . 6.4 tp -60.99 -40.97 95.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 t -74.39 -43.06 58.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.13 -45.95 61.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.77 -26.68 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.87 -47.45 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.53 -37.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.55 72.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.6 84.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.754 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -62.56 -57.42 11.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.17 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -39.95 82.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.45 29.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.21 40.1 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.91 -57.71 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.01 -138.72 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.09 154.98 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.61 179.2 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -111.47 140.81 45.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.72 139.89 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -130.02 133.92 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.43 118.84 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.5 pt -71.43 -13.5 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -49.93 165.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.1 51.33 7.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' CB ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -173.59 99.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.46 71.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.43 -49.75 76.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 37' ' ' ASP . 31.5 mt -67.02 -36.2 81.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.4 mm-40 -65.35 -44.74 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -30.74 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.41 58.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 40.1 m-85 -110.97 -66.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 52.46 -89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -70.15 -33.44 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -92.03 32.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -46.63 -50.0 43.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.4 Cg_endo -75.02 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.7 t -116.21 127.28 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.42 130.24 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -130.91 146.81 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -115.32 171.23 4.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.5 12.7 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.4 mtt -59.22 -20.67 56.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.94 4.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -135.38 162.82 31.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.269 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.55 167.42 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 68' ' ' LEU . 17.4 tp -124.79 146.12 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.4 149.2 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -56.35 -52.76 70.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 108.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.07 111.92 3.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.42 -175.58 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.8 m-20 -127.3 -173.01 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.44 -50.14 2.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.5 Cg_endo -74.97 -21.99 15.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -32.17 29.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.899 HD11 HD12 ' A' ' 51' ' ' LEU . 1.1 tp -79.27 -39.85 31.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.9 tpt180 -68.51 -49.43 59.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -31.47 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' A' ' 59' ' ' LEU . 67.5 t90 -73.87 -41.53 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.4 mt -59.02 -49.6 77.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -64.97 -39.65 93.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -40.25 -35.66 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.9 64.42 4.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.0 -178.27 4.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.61 -72.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.548 0.213 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.489 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -162.56 -170.43 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 53' ' ' ASP . 13.8 mt -77.91 -177.83 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.3 m -155.88 110.69 2.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.31 103.75 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 66.9 m-85 -64.13 131.5 47.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -164.83 154.63 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -136.06 116.06 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 125.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -43.04 117.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.93 164.67 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.64 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.9 tp -46.49 -39.72 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' HG23 ' A' ' 18' ' ' VAL . 34.8 t -73.28 -44.99 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.268 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -49.03 61.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.91 -35.7 75.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -64.8 -43.45 93.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' CYS . 81.7 t -60.88 -34.98 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -51.1 71.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.69 69.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -57.71 -55.82 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.12 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.49 -10.1 59.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.54 40.35 23.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.663 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -56.27 -61.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.56 -138.66 10.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.15 154.74 17.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -157.36 179.06 9.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 2' ' ' ALA . 76.8 m-85 -116.92 142.04 47.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.95 142.87 26.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.92 128.47 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -91.43 124.96 36.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -74.48 -15.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.2 p-10 -58.23 148.43 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 8.8 t0 82.05 -53.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.691 ' CB ' HD12 ' A' ' 40' ' ' LEU . 3.0 m-20 -71.4 82.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.18 -39.04 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.22 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CB ' ' A' ' 37' ' ' ASP . 47.1 mt -70.8 -32.66 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.2 mm-40 -66.62 -47.44 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -29.48 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.27 61.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 32.8 m-85 -104.95 -71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.07 -81.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.9 mm? -81.88 -30.98 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.3 36.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.54 -49.99 79.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 74.03 4.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.8 t -117.37 125.51 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -85.8 114.89 23.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.59 145.38 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.557 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.13 165.75 12.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.0 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 mmt -64.95 -51.66 60.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.39 48.52 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -139.25 158.18 44.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -131.61 166.95 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 71' ' ' TRP . 13.1 tp -135.87 146.79 47.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -65.41 142.86 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -47.39 -53.59 28.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 107.992 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 113.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.64 -171.31 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.471 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -130.58 -175.46 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -75.18 -49.58 4.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -32.38 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.39 -39.78 31.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.3 tpt85 -67.89 -48.56 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.58 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.928 ' CD1' HD13 ' A' ' 59' ' ' LEU . 67.2 t90 -74.12 -32.91 63.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 69' ' ' ARG . 55.1 mt -65.3 -44.42 87.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -11.62 59.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.12 -18.57 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -46.36 -52.31 29.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.04 -170.53 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.34 96.84 6.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.51 0.195 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.26 49.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' ASP . 29.3 mt -98.91 -177.54 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 32' ' ' VAL . 49.6 m -152.4 111.13 3.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.67 116.66 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.2 133.12 40.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.71 142.93 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -82.75 176.45 9.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.54 84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.78 175.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -153.02 129.38 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -166.51 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.4 OUTLIER -77.12 -30.27 55.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.7 p -58.02 -23.24 53.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 16' ' ' GLN . 9.0 p-10 -50.25 -50.69 49.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 3.2 mt-30 -64.41 -33.51 76.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.75 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.19 -34.99 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -50.99 68.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.42 79.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -61.51 -56.98 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.86 74.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.39 -47.48 78.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -10.31 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 59.45 39.98 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.661 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -54.08 -60.97 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.96 -136.64 8.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.43 155.92 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -155.66 178.35 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -114.33 136.92 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.0 p -88.36 135.28 33.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 4' ' ' THR . 80.6 t -127.84 133.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.37 119.4 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -78.3 -16.28 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.73 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 166.96 -35.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.876 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.0 m-20 -111.9 97.01 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.8 -35.02 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.876 HD12 ' HB2' ' A' ' 37' ' ' ASP . 15.4 mt -73.56 -32.96 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' A' ' 34' ' ' ILE . 2.8 mm-40 -67.03 -46.21 75.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -29.2 65.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.38 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' LEU . 17.8 m-85 -103.44 -70.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 54.93 -86.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.4 mm? -75.71 -31.66 59.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.01 35.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -49.22 -49.29 70.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 71.02 5.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.8 t -114.79 126.41 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -93.53 117.19 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.71 165.04 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.596 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -121.17 168.02 11.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' N ' ' NH2' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -75.0 -30.42 7.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.0 ptp -64.48 -37.35 87.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.67 45.7 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.07 162.95 25.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -145.41 160.83 40.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.827 HD23 HD12 ' A' ' 68' ' ' LEU . 20.5 tp -134.8 143.18 46.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.1 t0 -54.53 160.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.713 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -66.46 -52.87 33.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.95 111.95 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.14 -177.75 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -123.22 -169.99 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.44 -50.75 1.61 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.01 -21.38 15.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -32.36 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.827 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.33 -38.76 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 tpt180 -71.55 -48.23 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.48 -30.35 60.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.7 ' CG ' HD13 ' A' ' 59' ' ' LEU . 54.7 t90 -69.57 -38.86 77.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' ARG . 25.4 mt -64.11 -52.36 59.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 75' ' ' ALA . 5.3 m-20 -64.38 -41.36 96.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -41.43 -31.41 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . 50.09 -178.59 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo -74.98 -172.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -58.64 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.463 0.173 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -93.35 136.97 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -102.98 -175.84 2.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 57.9 m -147.57 105.1 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 21' ' ' LEU . 3.2 tp -114.9 107.4 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -65.41 135.99 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -149.5 164.12 35.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -151.61 113.05 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.6 t0 54.04 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -72.12 92.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.92 162.41 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.328 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -78.08 -54.54 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.623 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 8.8 tp -45.65 -36.25 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.8 m -76.11 -46.95 26.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 108.289 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -51.05 54.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.45 -32.75 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -71.1 -50.84 29.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.76 -35.49 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -50.44 73.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.65 80.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.625 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -62.33 -57.7 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.46 -49.41 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -10.27 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 39.99 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -48.72 -62.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.3 -136.54 8.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.09 157.35 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -166.41 -179.13 4.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE2' ' CB ' ' A' ' 2' ' ' ALA . 29.4 m-85 -102.27 134.85 44.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -98.91 129.81 45.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -118.56 136.81 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -100.51 123.95 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.6 pt -77.76 -13.55 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -58.6 143.62 45.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.6 t0 80.42 -53.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.606 ' CB ' HD12 ' A' ' 40' ' ' LEU . 5.7 m-20 -68.78 84.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.68 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.2 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 37' ' ' ASP . 35.5 mt -70.2 -31.2 68.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.2 mt-10 -67.25 -49.38 64.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -28.97 62.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.1 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' LEU . 35.3 m-85 -108.42 -67.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.22 -84.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -78.52 -28.34 46.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.07 35.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -55.25 -47.97 97.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.96 67.73 5.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.5 t -111.95 135.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 3' ' ' LEU . 1.2 mt -107.54 122.67 47.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.493 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -130.84 143.02 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' CG ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -129.8 171.02 9.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.059 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -117.37 -23.46 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.88 -12.48 78.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 74.48 -168.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.239 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -113.62 153.7 28.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 68' ' ' LEU . 40.8 tp -123.0 147.04 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -52.44 161.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.605 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.43 -51.71 31.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -75.01 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -159.49 175.33 13.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -113.88 -174.07 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.64 -49.48 2.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -33.07 31.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.32 -36.65 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -71.4 -47.98 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.8 67.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 78.5 t90 -70.24 -40.62 74.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 107.98 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 69' ' ' ARG . 21.9 mt -59.34 -48.21 82.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 75' ' ' ALA . 36.1 m-20 -68.94 -36.27 77.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -45.97 -25.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 73' ' ' ASP . . . -42.65 150.06 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.75 10.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -92.22 -63.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.588 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.492 0.187 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.24 -162.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' HG1' ' A' ' 4' ' ' THR . 5.3 mt -58.52 178.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.503 ' CG2' HG21 ' A' ' 32' ' ' VAL . 41.5 m -152.78 105.66 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -102.76 105.71 16.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -63.79 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 48' ' ' VAL . 3.0 pt20 -168.35 153.91 6.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.568 ' HE ' HG21 ' A' ' 48' ' ' VAL . 31.4 ptt85 -137.14 113.83 10.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 5.0 t0 78.4 -161.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 112.93 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 22.2 p -134.15 -144.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.406 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -109.97 -46.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.9 tp -44.82 -38.81 4.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.7 t -76.36 -44.93 34.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.87 -52.45 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.97 -31.67 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.73 -51.01 24.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -36.49 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -50.96 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.64 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 51' ' ' LEU . 3.7 mt -62.22 -59.2 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.6 74.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.02 -41.06 82.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -78.55 -10.57 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.67 40.3 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.69 -40.02 62.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -138.1 12.51 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.21 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -157.83 -178.17 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -117.52 145.79 43.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.48 141.86 30.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 4' ' ' THR . 99.6 t -138.24 138.88 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.87 128.92 54.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 48' ' ' VAL . 1.2 pt -82.77 -0.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -85.66 49.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -167.96 32.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.68 96.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.37 -32.13 10.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.26 86.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.13 -32.3 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.3 mm-40 -68.04 -45.43 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.5 63.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LEU . 15.1 m-85 -112.65 -72.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 63.84 -74.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.7 mm? -93.49 -25.02 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.803 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -92.36 39.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.5 t -56.41 -44.6 99.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -111.37 138.23 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.18 130.85 54.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 2.3 ptm180 -128.68 154.5 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -120.14 166.19 15.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -20.28 17.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.79 -33.8 74.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.55 36.15 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 4.9 mtp85 -139.65 167.62 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.33 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -124.35 144.19 50.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -64.33 134.02 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -42.85 -52.47 11.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.03 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -144.54 -177.09 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 m-20 -124.67 -172.64 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.06 -50.07 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.98 -26.24 11.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -31.01 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -79.33 -40.2 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.2 tpt180 -68.89 -50.41 49.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.43 -31.99 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 59' ' ' LEU . 69.8 t90 -72.0 -38.37 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 107.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 69' ' ' ARG . 57.0 mt -62.22 -53.11 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.97 -38.71 86.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -41.2 -35.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.76 64.31 4.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.5 Cg_endo -74.98 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 -56.89 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.69 -163.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.31 178.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.504 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 20.2 m -156.13 107.01 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tp -103.27 105.12 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -64.71 134.99 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 1.4 pp0? -170.13 141.81 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.5 107.48 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t0 42.83 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -155.62 148.87 24.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -144.86 63.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 13' ' ' LEU . 4.8 t-80 -179.57 -76.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.5 tp -63.07 -41.48 99.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' CB ' ' A' ' 7' ' ' GLN . 41.1 t -75.38 -40.49 57.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -50.42 74.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.42 -28.73 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.93 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 95.9 t -59.99 -35.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.09 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.45 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.7 mt -60.18 -56.62 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.97 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.6 -42.39 83.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.17 -9.21 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 40.06 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.79 -56.82 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.73 -139.19 11.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.27 154.46 20.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -161.09 -174.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -118.52 144.13 46.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.0 139.93 37.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.86 138.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -102.68 123.79 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -77.52 -14.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.4 149.59 20.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.1 t0 81.58 -53.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.75 102.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.44 69.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.54 -38.31 86.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.5 mm-40 -60.48 -45.49 93.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -29.22 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.76 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LEU . 47.7 m-85 -110.54 -72.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.74 -72.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -93.97 -24.56 17.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -93.82 39.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -56.04 -50.14 89.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -74.99 74.13 4.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.6 t -117.05 130.38 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.44 114.38 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.53 162.78 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.608 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -129.12 166.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.01 18.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -40.1 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.73 39.09 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.122 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 8.3 mtt180 -140.37 159.27 42.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.71 167.07 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.5 tp -123.59 147.18 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -57.86 144.24 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.596 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.6 -58.41 14.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 105.89 2.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -141.73 -171.54 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -126.64 -172.31 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.46 -50.0 2.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -74.98 -21.32 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -31.96 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.885 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.42 -39.36 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.67 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.9 tpt85 -70.71 -49.64 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -56.47 -30.64 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 79.3 t90 -74.43 -37.92 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 69' ' ' ARG . 7.2 mt -63.03 -46.14 88.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.94 -6.94 53.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -91.85 -18.9 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -50.46 -52.97 50.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.0 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 64.59 11.9 7.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.465 0.174 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.5 172.23 14.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 52' ' ' ARG . 1.2 mt -88.56 -178.04 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 91.4 m -156.13 113.73 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.57 120.81 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 39.5 m-85 -80.52 135.63 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.487 ' OE1' ' CE2' ' A' ' 33' ' ' PHE . 4.6 pt20 -127.93 169.64 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.743 ' HB3' HG21 ' A' ' 48' ' ' VAL . 24.2 ptt180 -122.15 -178.73 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.4 -52.31 66.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.23 -170.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -161.51 123.61 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -178.6 -57.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.83 HD23 ' HG3' ' A' ' 49' ' ' PRO . 13.2 tp -75.99 -35.85 59.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.8 m -69.5 -27.25 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.88 -57.46 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.72 -23.27 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 -50.24 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' CYS . 97.0 t -57.28 -36.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.85 -51.02 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.14 74.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -59.15 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.68 -45.45 77.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.38 -43.19 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . . . -77.54 -1.02 28.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 50.0 39.95 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.08 -59.99 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.13 -141.85 12.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.88 155.27 17.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -163.6 179.18 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -113.97 137.59 51.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -104.22 133.82 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.0 125.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE2' ' OE1' ' A' ' 7' ' ' GLN . 78.6 m-85 -84.4 125.82 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 41' ' ' GLU . 3.5 pt -79.85 -15.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 22.7 t0 -53.98 140.59 30.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.2 t0 82.14 -53.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.55 99.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -30.57 70.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.07 76.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.33 -32.84 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.7 mm-40 -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -28.55 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -43.15 66.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 6' ' ' TYR . 41.6 m-85 -114.31 -66.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.59 -83.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.8 mm? -82.62 -26.65 32.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.62 35.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -57.07 -49.36 94.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.83 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 74.12 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.3 t -122.5 125.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.84 114.78 26.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.693 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -115.16 163.94 14.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.5 169.63 9.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.97 10.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -50.25 71.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.97 45.24 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -136.77 159.81 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.1 pp20? -138.97 163.58 31.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 68' ' ' LEU . 17.9 tp -127.5 146.71 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.27 151.1 20.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.717 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.15 -54.39 50.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.051 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -150.6 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.485 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 m-20 -134.56 177.58 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -68.88 -49.6 26.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -74.99 -24.44 12.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -32.86 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 51' ' ' LEU . 1.1 tp -79.32 -35.97 40.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -71.16 -49.31 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.6 -30.28 54.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.574 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 63.6 t90 -73.15 -43.65 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 3' ' ' LEU . 30.7 mt -58.58 -51.12 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -50.75 -37.36 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -56.44 -22.82 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -118.82 166.5 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo -74.97 -172.02 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 76' ' ' PRO . 0.1 OUTLIER 38.47 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.645 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.668 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -165.12 179.86 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 28.7 mt -64.58 178.22 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.8 m -155.78 105.76 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.77 111.69 23.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.92 136.15 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' HG13 ' A' ' 48' ' ' VAL . 13.8 pt20 -164.61 142.79 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -87.21 -176.76 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.75 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 62.24 149.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 176.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 108.276 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -101.75 -44.64 5.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.589 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 12.3 tp -60.43 -38.74 85.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.1 p -74.98 -37.9 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.31 -54.87 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -22.94 59.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -75.59 -50.2 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.29 -35.93 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.9 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.45 79.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -64.0 -57.74 8.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.97 -44.16 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -56.96 -43.77 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 39.96 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -49.34 -49.26 45.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.51 -139.64 11.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.76 154.97 17.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -162.17 -177.53 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CE2' ' HB3' ' A' ' 2' ' ' ALA . 23.3 m-85 -108.83 132.94 53.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -101.43 132.46 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.56 136.27 58.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -96.46 120.76 37.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 41' ' ' GLU . 1.3 pt -78.21 -20.96 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.3 p30 -51.1 145.79 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.5 t0 81.93 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.44 91.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.46 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.53 83.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.18 -33.29 71.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.0 mm-40 -65.71 -46.25 79.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -29.02 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.83 -43.19 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LEU . 29.1 m-85 -108.05 -69.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.01 -81.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -83.0 -29.17 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.18 36.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.52 -49.34 94.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HB2' ' CE3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.03 70.93 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.9 t -117.18 134.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -105.8 135.2 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.44 141.74 41.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.68 161.1 55.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.49 19.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.4 mtm -141.59 -43.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -61.64 -14.9 45.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 77.83 -166.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -111.53 143.64 42.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.3 tp -112.64 147.33 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -50.17 159.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -64.58 -53.0 48.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -159.25 171.6 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -111.75 -174.03 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.69 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.73 -49.43 2.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.02 -22.11 15.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -33.09 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.42 -39.44 32.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -68.98 -50.14 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.87 -30.89 62.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 83.2 t90 -75.33 -34.42 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -5.96 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -86.74 -22.58 25.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -39.79 -55.65 3.52 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.95 171.34 18.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -119.98 110.27 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.636 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -156.04 110.79 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.56 102.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 85.1 m-85 -68.69 137.31 54.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.15 166.51 23.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HB3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' A' ' 49' ' ' PRO . 19.1 tp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.2 p -75.14 -27.06 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.9 -53.68 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.61 -34.4 69.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -62.75 -50.31 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.64 -35.97 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -48.56 81.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.09 88.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -62.98 -56.01 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.4 -47.15 76.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.52 -46.55 86.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -11.99 57.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 39.33 13.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.718 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.46 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.61 -138.03 9.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.86 154.8 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -164.23 -178.92 5.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -113.59 136.93 52.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.36 140.24 35.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.8 t -127.28 130.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -95.25 124.7 39.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.8 pt -82.63 -18.17 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.32 75.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 168.96 -32.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.603 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.3 m-20 -114.36 106.38 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.87 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.03 77.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' HB2' ' A' ' 37' ' ' ASP . 42.5 mt -70.27 -37.91 74.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -61.92 -44.84 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -36.51 76.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.26 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 24.6 m-85 -100.6 -71.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 61.09 -81.47 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.8 mm? -83.8 -30.66 26.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.789 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -90.5 37.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -52.28 -49.71 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.99 73.53 4.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.3 t -117.74 126.12 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -93.2 120.17 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 31.4 ttt85 -115.25 150.42 36.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -116.63 164.09 19.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 71' ' ' TRP . 21.5 tp -124.22 143.77 50.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -58.58 149.29 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.581 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -57.92 -53.68 63.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.016 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 111.76 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.84 -173.11 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -127.15 -172.62 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.13 -49.84 2.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -31.57 40.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.44 -38.24 35.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 72' ' ' LEU . 5.7 tpt85 -68.55 -50.36 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.82 61.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.601 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 87.8 t90 -75.01 -35.9 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.0 mt -65.98 -51.43 58.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 51' ' ' LEU . 1.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.503 HG21 ' HE ' ' A' ' 52' ' ' ARG . 5.0 m -155.52 112.45 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tp -114.21 114.27 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 34' ' ' ILE . 31.8 m-85 -72.53 133.62 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -144.09 170.09 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.702 HD23 ' CD ' ' A' ' 49' ' ' PRO . 4.1 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 15.6 t -76.1 -43.57 42.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -50.91 -53.14 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.99 -31.74 65.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.4 -44.35 65.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.85 -37.91 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -51.0 71.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.4 83.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.616 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -64.61 -55.76 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.9 88.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.32 -44.23 84.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.02 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.03 39.6 31.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.569 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.07 -57.29 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -137.69 9.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.63 154.67 19.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -162.17 -178.23 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -105.04 139.7 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -100.48 134.52 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.15 127.89 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -91.05 125.97 36.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 6' ' ' TYR . 1.2 pt -82.99 -15.84 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.4 p-10 -56.93 145.57 29.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 82.26 -52.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.98 97.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.31 77.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.77 80.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.7 mt -68.8 -34.78 76.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.8 mm-40 -64.58 -46.98 80.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -29.8 65.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.88 64.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.0 m-85 -107.9 -70.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.18 -77.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.5 mm? -89.79 -26.81 20.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.76 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.4 37.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -56.05 -48.2 97.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.702 ' CD ' HD23 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 69.5 5.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 47' ' ' ARG . 8.0 t -116.02 126.49 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.18 120.48 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HE ' HG21 ' A' ' 4' ' ' THR . 1.1 ptt85 -119.06 144.4 46.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.31 9.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 68' ' ' LEU . 34.6 tp -99.58 146.96 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.0 t0 -56.79 162.44 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.606 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -69.02 -52.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.03 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -154.32 176.81 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.7 m-20 -114.92 -173.57 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.85 -49.54 2.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.07 -19.68 17.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.29 27.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.19 -34.97 42.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.0 tpt180 -72.41 -52.05 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.07 64.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.665 ' CD1' HD13 ' A' ' 59' ' ' LEU . 75.9 t90 -64.93 -39.72 93.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 69' ' ' ARG . 16.5 mt -61.84 -49.5 76.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 96.7 m -156.05 110.66 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp -111.47 105.52 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -66.37 135.38 54.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -154.81 155.16 33.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.621 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 49' ' ' PRO . 7.2 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.16 -39.46 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -52.76 64.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.17 -29.15 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -50.17 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.33 -35.01 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -51.06 70.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.35 -40.14 77.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -60.23 -56.87 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.48 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.58 -38.38 81.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.23 -5.69 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.63 39.56 31.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.77 -55.25 17.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.14 -148.12 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.39 154.92 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -162.84 -179.2 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.16 148.0 27.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.11 139.54 45.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.0 t -129.84 137.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.03 118.65 36.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.521 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.4 pt -70.68 -12.48 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -59.57 172.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.48 35.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.15 94.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.69 84.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -68.74 -37.95 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.7 mm-40 -62.21 -45.49 93.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -30.15 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.02 66.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' LEU . 24.2 m-85 -111.62 -69.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.99 -83.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.9 mm? -79.66 -30.92 41.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -90.44 36.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.621 HG21 ' HG2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -55.16 -49.53 91.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 73.84 4.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 47' ' ' ARG . 7.3 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.75 126.08 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 3' ' ' LEU . 7.5 ptm180 -125.84 150.63 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.594 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -110.67 166.34 10.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.995 HD23 HD12 ' A' ' 68' ' ' LEU . 15.7 tp -105.93 143.05 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -55.07 155.25 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.583 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -59.79 -53.74 62.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.64 -173.71 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.5 m-20 -128.49 -173.88 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.8 -49.67 2.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.75 15.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -33.28 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.995 HD12 HD23 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -79.06 -40.25 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.13 -46.71 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.78 -32.96 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.594 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 77.4 t90 -75.08 -39.83 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 68' ' ' LEU . 2.8 mm? -52.08 -53.88 37.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 53' ' ' ASP . 14.1 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.7 m -155.75 107.94 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -109.04 101.54 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 98.1 m-85 -65.24 133.27 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -140.53 168.45 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.475 ' HG2' HG11 ' A' ' 48' ' ' VAL . 8.1 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.649 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -74.23 -35.54 63.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -56.44 -40.06 74.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.63 -26.95 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -51.06 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.95 -37.39 41.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.94 -50.83 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.96 80.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.16 -55.76 29.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.92 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -56.96 -43.92 82.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.3 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.29 39.72 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.794 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.01 -44.81 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.53 -137.66 14.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 154.47 17.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -162.44 -175.0 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.01 143.38 40.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.89 139.58 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -133.17 132.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -103.31 119.7 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -71.53 -15.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.8 p-10 -56.72 140.48 47.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.6 t0 81.95 -53.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.03 102.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.14 74.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.03 71.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.9 -34.93 78.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.77 -47.65 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -28.99 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.63 65.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HE1' HG11 ' A' ' 50' ' ' VAL . 59.5 m-85 -110.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 66.14 -71.75 0.14 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -93.76 -29.75 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.11 37.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 t -53.26 -48.67 91.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.649 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.03 74.56 3.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' ARG . 12.0 t -121.83 124.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -95.16 127.15 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -128.05 151.04 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.677 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -106.65 168.34 8.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.818 HD23 HD12 ' A' ' 68' ' ' LEU . 20.3 tp -122.42 146.92 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -61.3 141.81 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -45.7 -53.4 20.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 107.979 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 111.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.43 -173.11 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -128.29 -173.23 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.04 -49.89 2.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -22.45 14.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -32.49 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.818 HD12 HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -79.45 -39.48 32.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.654 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -70.23 -48.06 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -30.66 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.7 t90 -74.67 -38.62 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 69' ' ' ARG . 14.9 mt -61.66 -47.47 85.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' ASP . 36.1 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -155.09 114.95 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.07 101.04 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 79.7 m-85 -65.83 134.26 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -167.26 160.11 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 49' ' ' PRO . 3.0 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 t -68.36 -43.0 78.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -53.36 -43.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.9 -38.56 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.87 84.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.01 -38.79 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.83 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.98 74.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD21 HD21 ' A' ' 51' ' ' LEU . 4.9 mt -58.97 -58.73 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -46.68 74.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.33 -42.94 82.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -10.18 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 39.76 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.42 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.76 -141.1 13.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.58 154.43 20.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -161.12 -172.87 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.31 153.23 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -117.89 144.52 45.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -137.4 132.21 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -93.59 130.27 39.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.1 pt -85.23 -19.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.5 t0 -55.82 141.56 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 11.4 t0 81.84 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.19 94.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.48 75.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.86 83.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.85 -33.74 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -66.04 -47.28 74.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -30.1 64.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.89 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 14.4 m-85 -115.08 -73.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.2 -74.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -90.08 -31.79 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -89.76 36.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -51.64 -49.1 84.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 74.4 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.6 t -115.65 125.6 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.29 114.26 26.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.5 ttt180 -111.26 151.13 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.688 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.94 168.77 7.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 68' ' ' LEU . 22.9 tp -124.64 145.08 49.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 1.2 t0 -58.49 152.19 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -61.02 -53.07 67.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.994 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.65 -175.63 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -124.97 -172.85 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.38 -49.72 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.0 -21.67 15.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -32.91 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.898 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.38 -39.35 32.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.623 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -67.85 -48.0 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.54 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.472 ' CD1' HD13 ' A' ' 59' ' ' LEU . 82.6 t90 -74.44 -40.07 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.047 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.7 mt -64.44 -52.27 58.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 53' ' ' ASP . 4.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.3 m -148.81 106.84 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 14' ' ' CYS . 1.7 tp -106.38 121.1 43.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -81.89 139.36 34.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.43 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 15.1 pt20 -135.57 165.16 26.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HB2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 10.8 t -76.03 -35.92 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.33 -54.68 28.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.92 -24.87 62.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.78 -46.86 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.52 -35.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -51.04 71.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.85 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 51' ' ' LEU . 2.4 mt -59.43 -58.69 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.1 75.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.81 -40.81 80.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -1.77 32.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.6 39.64 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.11 -68.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.4 -136.41 5.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.71 154.39 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -162.15 179.3 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -114.32 147.14 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -104.09 134.93 46.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.39 136.78 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -102.96 117.79 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.5 pt -71.27 -8.33 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -80.41 66.81 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -177.46 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.824 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.1 m-20 -107.54 109.26 20.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.62 69.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.02 86.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 37' ' ' ASP . 16.4 mt -72.54 -32.24 65.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.9 mm-40 -67.43 -47.6 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -29.25 62.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.73 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 32.6 m-85 -106.69 -70.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 65.13 -72.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.4 -24.71 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.747 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.63 37.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.3 t -56.34 -45.55 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.96 67.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.4 t -116.66 124.76 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.584 HD13 HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -92.36 119.13 31.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -107.75 150.67 26.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.479 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -119.68 162.43 32.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.777 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -105.75 146.27 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 t0 -63.45 148.8 47.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -56.12 -54.26 54.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 107.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -152.85 -171.36 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -131.14 -172.96 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.99 -49.99 2.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.01 -24.33 12.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -32.54 42.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.23 -39.84 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 72' ' ' LEU . 8.2 tpt180 -69.8 -49.11 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.52 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.777 ' CE3' HD12 ' A' ' 59' ' ' LEU . 66.2 t90 -71.32 -39.07 71.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 69' ' ' ARG . 43.2 mt -65.2 -50.87 64.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.4 m -139.11 106.61 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.92 102.41 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 71.2 m-85 -66.11 143.09 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.663 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.9 pt20 -173.15 151.83 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.37 -39.3 68.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.6 -37.77 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.05 -39.33 90.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -59.07 -49.82 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.23 -35.15 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -50.19 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.66 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.86 -59.23 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.46 72.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.47 -50.68 71.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -67.54 -13.47 62.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 38.56 7.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.17 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.71 -137.08 8.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.65 154.55 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.11 -179.91 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -112.29 142.9 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.35 142.19 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.17 134.34 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -100.45 135.32 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 pt -89.04 -15.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.4 166.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 41.62 58.82 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.45 94.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.59 77.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.89 -45.98 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -30.92 65.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' GLY . 22.9 mt-10 -67.18 -49.47 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -29.43 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.29 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 62.0 m-85 -116.56 -66.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 48' ' ' VAL . . . 63.05 -76.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.2 mm? -95.59 -22.84 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -93.07 38.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 7' ' ' GLN . 2.5 t -64.47 -44.85 76.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 60.82 5.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 47' ' ' ARG . 22.5 t -109.52 124.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.65 118.27 25.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 9.7 ttt180 -111.92 148.99 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -118.04 163.18 25.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE2' ' CG1' ' A' ' 50' ' ' VAL . 5.1 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.6 tp -117.07 143.67 45.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 44.1 p30 -52.85 161.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -70.06 -54.8 9.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.004 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.425 ' CD2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -153.72 -173.14 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.4 m-20 -125.29 -172.27 2.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.33 -49.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.05 -21.87 15.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.0 27.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.45 -39.09 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.791 ' HA ' HD12 ' A' ' 72' ' ' LEU . 7.5 tpt180 -71.89 -49.07 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.94 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 66.1 t90 -71.19 -37.77 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 108.024 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 69' ' ' ARG . 5.6 mt -66.02 -49.66 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t0 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 53' ' ' ASP . 34.3 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.4 m -155.08 113.2 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.48 102.33 10.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -64.07 134.54 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -166.39 148.42 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.6 m -75.38 -47.56 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -34.9 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -31.21 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 -48.0 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.66 -37.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -51.03 71.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.39 80.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 51' ' ' LEU . 4.2 mt -62.18 -57.93 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.32 -44.44 79.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.238 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.49 61.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.02 40.02 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.71 57.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.7 -140.58 11.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 156.07 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.47 179.76 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -112.53 140.64 47.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -92.85 129.84 38.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -125.59 127.1 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.55 122.07 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.592 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -75.94 -17.82 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.48 78.26 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.05 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.2 m-20 -108.94 96.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.6 -36.72 25.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.78 84.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 37' ' ' ASP . 24.2 mt -71.94 -35.56 69.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.37 -46.15 81.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -29.0 63.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.54 59.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 12.8 m-85 -106.37 -74.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.17 -74.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.6 mm? -90.15 -28.45 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -92.38 38.3 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -52.41 -49.3 86.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.08 74.26 4.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.2 t -116.61 126.67 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -95.36 119.14 33.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -115.43 163.76 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.8 168.77 13.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.7 pp20? . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 68' ' ' LEU . 29.1 tp -125.16 146.66 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.57 157.73 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.608 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -63.71 -54.81 39.1 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 108.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 116.34 4.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -155.02 177.52 11.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -115.27 -172.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.03 -49.59 1.94 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -31.52 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -79.32 -40.69 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -45.84 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -31.97 60.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.501 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 77.6 t90 -75.53 -40.11 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 68' ' ' LEU . 3.4 mm? -51.61 -53.65 36.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.475 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 73.4 m -156.0 115.72 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -110.85 108.91 18.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -69.76 128.63 37.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.51 152.2 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -70.32 -39.95 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -57.67 -37.67 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.12 -32.82 74.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -69.96 -50.32 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.11 -35.3 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.39 74.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.16 80.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.507 HD21 HD21 ' A' ' 51' ' ' LEU . 3.9 mt -59.27 -57.22 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.56 71.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.32 -49.08 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.05 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.55 38.94 7.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.71 -62.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.16 -136.86 8.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.68 154.7 17.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -161.64 -177.8 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -116.4 140.93 48.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -93.26 144.6 25.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -136.24 128.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.35 118.14 32.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.2 pt -68.48 -16.4 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.92 169.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 45.44 41.64 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -167.32 97.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.44 75.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.24 73.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.34 -38.91 88.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 6.3 mm-40 -61.03 -46.73 89.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -30.35 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -44.2 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LEU . 27.1 m-85 -109.94 -71.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.47 -87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.1 mm? -72.29 -35.42 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.807 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.57 35.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -51.2 -50.46 75.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.08 4.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -115.57 125.84 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.751 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -89.46 114.22 25.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -111.83 166.15 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -130.74 163.58 47.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.1 tp -134.34 145.73 49.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.05 160.79 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.14 -54.19 21.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 116.29 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -152.48 -172.41 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.4 m-20 -126.72 -172.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.1 -49.73 2.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.99 -21.64 15.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -32.81 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.751 HD11 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -79.45 -39.42 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.6 tpt180 -67.42 -48.96 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 85.9 t90 -74.43 -37.64 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.3 mt -60.79 -43.73 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 53' ' ' ASP . 1.3 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 27.6 m -146.37 113.17 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -109.51 104.9 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -63.94 137.82 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' HA ' HG13 ' A' ' 48' ' ' VAL . 1.6 pp0? -174.67 142.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.635 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 41.9 t -72.17 -38.28 69.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -56.65 -51.33 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.12 -28.01 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.64 -50.4 44.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.51 -35.0 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -51.22 70.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.71 80.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -59.59 -52.86 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.68 93.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.62 -40.26 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.02 -12.53 59.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 39.98 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.71 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -52.37 -58.77 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.34 -136.08 8.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 154.95 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.01 178.27 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -109.75 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 p -89.02 125.44 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -119.6 134.25 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.07 124.83 47.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG12 HG22 ' A' ' 48' ' ' VAL . 1.4 pt -78.49 -17.5 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.4 p-10 -53.89 146.51 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.3 t0 81.63 -53.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.8 98.84 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.64 81.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.5 -50.34 74.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.2 -35.99 80.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.15 -47.2 83.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.97 68.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.49 -44.86 66.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 30.8 m-85 -108.13 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.81 -78.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.4 mm? -85.45 -27.23 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.754 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -91.92 36.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -53.83 -49.76 87.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.96 73.04 4.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.2 t -118.33 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -95.38 118.89 32.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -119.19 160.37 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.574 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -122.36 171.42 6.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD12 ' A' ' 68' ' ' LEU . 25.5 tp -122.0 144.51 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -56.02 145.67 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -54.92 -58.55 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.025 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 110.97 3.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.85 -171.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.2 m-20 -127.97 -174.36 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.24 -49.46 3.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -21.55 15.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -33.27 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.896 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.35 -39.22 33.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.93 -48.73 65.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.0 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.604 ' CD1' HD13 ' A' ' 59' ' ' LEU . 76.4 t90 -74.82 -36.46 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.08 -44.57 94.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 53' ' ' ASP . 7.9 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 15.8 m -155.05 119.23 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -117.64 102.62 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 56.0 m-85 -63.92 135.16 56.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 19.3 pt20 -143.26 169.12 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.15 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' HG23 ' A' ' 18' ' ' VAL . 98.2 m -51.89 -42.37 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -48.89 63.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.48 -29.86 70.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -45.35 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 67.3 t -61.17 -35.02 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -46.48 87.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.23 88.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -61.47 -56.33 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -46.32 75.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.08 -45.64 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -10.64 60.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 39.11 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.8 -64.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.89 -134.93 6.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.64 154.59 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.37 177.29 11.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -110.71 132.98 53.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -91.45 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -106.79 130.54 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -100.49 123.33 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.8 pt -79.42 -20.03 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -51.66 141.65 16.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 83.15 -50.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.29 101.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.5 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.07 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 44' ' ' TYR . 50.9 mt -66.82 -39.66 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.5 mm-40 -58.77 -44.48 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -28.84 62.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -45.64 48.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.582 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 54.6 m-85 -108.43 -64.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 59.37 -83.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.6 mm? -86.54 -25.64 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.08 36.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.2 t -54.47 -46.6 99.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.94 74.47 3.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.1 t -123.76 124.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -97.36 119.99 36.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.5 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 10.6 ptm180 -117.22 150.3 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.538 ' OD1' ' CZ3' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -111.28 170.22 5.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.1 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 68' ' ' LEU . 21.2 tp -113.56 146.03 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -56.91 143.31 38.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 1.15 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -47.07 -53.68 25.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.98 112.39 3.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.47 -171.34 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.459 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.9 m-20 -130.42 -173.94 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.66 -49.79 2.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.98 -21.55 15.79 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 -33.41 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 59' ' ' LEU . 1.1 tp -79.26 -39.37 33.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.9 tpt180 -68.49 -48.93 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.13 65.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' ' OD1' ' A' ' 53' ' ' ASP . 76.9 t90 -73.81 -37.97 64.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 69' ' ' ARG . 48.5 mt -61.48 -45.27 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.0 m -149.64 137.32 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.23 104.34 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -64.33 137.76 58.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -144.23 169.96 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 61' ' ' TRP . 3.9 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 33.6 t -75.94 -44.95 37.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -51.41 -52.62 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -59.75 -29.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.65 -50.41 44.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.3 -39.26 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -51.02 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.38 75.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.66 -56.62 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.67 74.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.26 -42.73 82.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.71 -1.74 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 50.73 39.66 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.773 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -48.12 -67.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.92 -135.61 8.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.42 154.09 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -166.47 -171.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -116.06 153.49 31.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.11 140.0 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.95 137.78 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.9 116.93 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 4.0 pt -70.75 -13.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.82 162.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.7 t0 45.71 51.72 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -172.75 98.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.27 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.94 74.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.75 -39.13 87.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.2 mm-40 -61.23 -44.96 96.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -29.0 62.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.82 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.362 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.2 m-85 -112.05 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.85 -89.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -73.55 -28.6 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -90.98 34.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -58.33 -49.93 90.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 64.26 6.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.2 t -108.41 130.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.926 HD12 HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -96.41 123.05 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -124.64 146.45 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.613 ' OD2' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -114.2 163.94 17.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 52' ' ' ARG . 54.3 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 68' ' ' LEU . 40.3 tp -128.78 146.62 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -63.74 133.9 54.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -43.82 -53.23 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -140.52 -171.4 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.2 m-20 -126.42 -172.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.12 -50.15 2.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.84 15.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.809 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.926 HD11 HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.41 -39.92 31.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.733 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.01 -46.89 73.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.94 67.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.613 ' CZ2' ' OD2' ' A' ' 53' ' ' ASP . 67.4 t90 -72.78 -33.8 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 69' ' ' ARG . 8.7 mt -69.78 -50.06 46.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 m -136.12 109.59 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -111.41 102.26 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 42.0 m-85 -62.84 134.19 55.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -165.88 148.92 7.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 49' ' ' PRO . 6.4 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 t -74.39 -43.06 58.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.13 -45.95 61.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.77 -26.68 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.87 -47.45 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.53 -37.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.55 72.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.6 84.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.754 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -62.56 -57.42 11.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.17 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -39.95 82.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.45 29.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.21 40.1 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.91 -57.71 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.01 -138.72 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.09 154.98 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.61 179.2 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -111.47 140.81 45.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.72 139.89 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -130.02 133.92 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.43 118.84 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.5 pt -71.43 -13.5 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -49.93 165.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.1 51.33 7.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' CB ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -173.59 99.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.46 71.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.43 -49.75 76.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 37' ' ' ASP . 31.5 mt -67.02 -36.2 81.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.4 mm-40 -65.35 -44.74 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -30.74 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.41 58.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 40.1 m-85 -110.97 -66.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 52.46 -89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -70.15 -33.44 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -92.03 32.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -46.63 -50.0 43.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.4 Cg_endo -75.02 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.7 t -116.21 127.28 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.42 130.24 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -130.91 146.81 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -115.32 171.23 4.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 68' ' ' LEU . 17.4 tp -124.79 146.12 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.4 149.2 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.601 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -56.35 -52.76 70.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 108.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.07 111.92 3.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.42 -175.58 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.8 m-20 -127.3 -173.01 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.44 -50.14 2.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.5 Cg_endo -74.97 -21.99 15.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -32.17 29.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.899 HD11 HD12 ' A' ' 51' ' ' LEU . 1.1 tp -79.27 -39.85 31.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.9 tpt180 -68.51 -49.43 59.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -31.47 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' A' ' 59' ' ' LEU . 67.5 t90 -73.87 -41.53 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.4 mt -59.02 -49.6 77.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 53' ' ' ASP . 13.8 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.3 m -155.88 110.69 2.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.31 103.75 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 66.9 m-85 -64.13 131.5 47.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -164.83 154.63 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.9 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' HG23 ' A' ' 18' ' ' VAL . 34.8 t -73.28 -44.99 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.268 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -49.03 61.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.91 -35.7 75.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -64.8 -43.45 93.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' CYS . 81.7 t -60.88 -34.98 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -51.1 71.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.69 69.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -57.71 -55.82 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.12 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.49 -10.1 59.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.54 40.35 23.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.663 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -56.27 -61.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.56 -138.66 10.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.15 154.74 17.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -157.36 179.06 9.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -116.92 142.04 47.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.95 142.87 26.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.92 128.47 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -91.43 124.96 36.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -74.48 -15.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.2 p-10 -58.23 148.43 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 8.8 t0 82.05 -53.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.691 ' CB ' HD12 ' A' ' 40' ' ' LEU . 3.0 m-20 -71.4 82.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.18 -39.04 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.22 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CB ' ' A' ' 37' ' ' ASP . 47.1 mt -70.8 -32.66 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.2 mm-40 -66.62 -47.44 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -29.48 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.27 61.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.505 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 32.8 m-85 -104.95 -71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.07 -81.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.9 mm? -81.88 -30.98 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.3 36.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.54 -49.99 79.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 74.03 4.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.8 t -117.37 125.51 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -85.8 114.89 23.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.59 145.38 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.557 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.13 165.75 12.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 71' ' ' TRP . 13.1 tp -135.87 146.79 47.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -65.41 142.86 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.548 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -47.39 -53.59 28.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 107.992 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 113.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.64 -171.31 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.471 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -130.58 -175.46 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -75.18 -49.58 4.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -32.38 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.39 -39.78 31.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.3 tpt85 -67.89 -48.56 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.58 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.928 ' CD1' HD13 ' A' ' 59' ' ' LEU . 67.2 t90 -74.12 -32.91 63.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 69' ' ' ARG . 55.1 mt -65.3 -44.42 87.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' ASP . 29.3 mt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 32' ' ' VAL . 49.6 m -152.4 111.13 3.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.67 116.66 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.2 133.12 40.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.71 142.93 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.7 p -58.02 -23.24 53.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 16' ' ' GLN . 9.0 p-10 -50.25 -50.69 49.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 3.2 mt-30 -64.41 -33.51 76.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.75 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.19 -34.99 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -50.99 68.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.42 79.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.661 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -61.51 -56.98 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.86 74.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.39 -47.48 78.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -10.31 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 59.45 39.98 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.661 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -54.08 -60.97 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.96 -136.64 8.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.43 155.92 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -155.66 178.35 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -114.33 136.92 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.0 p -88.36 135.28 33.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 4' ' ' THR . 80.6 t -127.84 133.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.37 119.4 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -78.3 -16.28 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.73 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 166.96 -35.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.876 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.0 m-20 -111.9 97.01 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.8 -35.02 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.876 HD12 ' HB2' ' A' ' 37' ' ' ASP . 15.4 mt -73.56 -32.96 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' A' ' 34' ' ' ILE . 2.8 mm-40 -67.03 -46.21 75.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -29.2 65.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.38 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' LEU . 17.8 m-85 -103.44 -70.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 54.93 -86.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.4 mm? -75.71 -31.66 59.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.01 35.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -49.22 -49.29 70.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 71.02 5.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.8 t -114.79 126.41 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -93.53 117.19 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.71 165.04 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.596 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -121.17 168.02 11.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' N ' ' NH2' ' A' ' 52' ' ' ARG . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.827 HD23 HD12 ' A' ' 68' ' ' LEU . 20.5 tp -134.8 143.18 46.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.1 t0 -54.53 160.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.713 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -66.46 -52.87 33.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.95 111.95 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.14 -177.75 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -123.22 -169.99 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.44 -50.75 1.61 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.01 -21.38 15.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -32.36 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.827 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.33 -38.76 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 tpt180 -71.55 -48.23 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.35 60.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.7 ' CG ' HD13 ' A' ' 59' ' ' LEU . 54.7 t90 -69.57 -38.86 77.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' ARG . 25.4 mt -64.11 -52.36 59.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 57.9 m -147.57 105.1 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 21' ' ' LEU . 3.2 tp -114.9 107.4 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -65.41 135.99 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -149.5 164.12 35.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 8.8 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.8 m -76.11 -46.95 26.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 108.289 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -51.05 54.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.45 -32.75 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -71.1 -50.84 29.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.76 -35.49 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -50.44 73.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.65 80.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.625 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -62.33 -57.7 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.46 -49.41 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -10.27 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 39.99 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -48.72 -62.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.3 -136.54 8.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.09 157.35 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -166.41 -179.13 4.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -102.27 134.85 44.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -98.91 129.81 45.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -118.56 136.81 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -100.51 123.95 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.6 pt -77.76 -13.55 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -58.6 143.62 45.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.6 t0 80.42 -53.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.606 ' CB ' HD12 ' A' ' 40' ' ' LEU . 5.7 m-20 -68.78 84.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.68 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.2 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 37' ' ' ASP . 35.5 mt -70.2 -31.2 68.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.2 mt-10 -67.25 -49.38 64.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -28.97 62.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.1 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' LEU . 35.3 m-85 -108.42 -67.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.22 -84.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -78.52 -28.34 46.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.07 35.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -55.25 -47.97 97.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.96 67.73 5.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.5 t -111.95 135.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 3' ' ' LEU . 1.2 mt -107.54 122.67 47.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.493 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -130.84 143.02 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' CG ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -129.8 171.02 9.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.059 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 68' ' ' LEU . 40.8 tp -123.0 147.04 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -52.44 161.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.43 -51.71 31.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -75.01 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -159.49 175.33 13.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -113.88 -174.07 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.64 -49.48 2.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -33.07 31.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.32 -36.65 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -71.4 -47.98 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.8 67.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 78.5 t90 -70.24 -40.62 74.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 107.98 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 69' ' ' ARG . 21.9 mt -59.34 -48.21 82.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' HG1' ' A' ' 4' ' ' THR . 5.3 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.503 ' CG2' HG21 ' A' ' 32' ' ' VAL . 41.5 m -152.78 105.66 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -102.76 105.71 16.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -63.79 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 48' ' ' VAL . 3.0 pt20 -168.35 153.91 6.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.568 ' HE ' HG21 ' A' ' 48' ' ' VAL . 31.4 ptt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.9 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.7 t -76.36 -44.93 34.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.87 -52.45 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.97 -31.67 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.73 -51.01 24.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -36.49 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -50.96 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.64 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 51' ' ' LEU . 3.7 mt -62.22 -59.2 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.6 74.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.02 -41.06 82.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -78.55 -10.57 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.67 40.3 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.69 -40.02 62.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -138.1 12.51 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.21 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -157.83 -178.17 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -117.52 145.79 43.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.48 141.86 30.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 4' ' ' THR . 99.6 t -138.24 138.88 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.87 128.92 54.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 48' ' ' VAL . 1.2 pt -82.77 -0.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -85.66 49.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -167.96 32.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.68 96.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.37 -32.13 10.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.26 86.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.13 -32.3 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.3 mm-40 -68.04 -45.43 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.5 63.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LEU . 15.1 m-85 -112.65 -72.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 63.84 -74.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.7 mm? -93.49 -25.02 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.803 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -92.36 39.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.5 t -56.41 -44.6 99.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -111.37 138.23 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.18 130.85 54.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 2.3 ptm180 -128.68 154.5 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -120.14 166.19 15.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -124.35 144.19 50.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -64.33 134.02 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.602 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -42.85 -52.47 11.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.03 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -144.54 -177.09 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 m-20 -124.67 -172.64 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.06 -50.07 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.98 -26.24 11.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -31.01 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -79.33 -40.2 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.2 tpt180 -68.89 -50.41 49.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.43 -31.99 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 59' ' ' LEU . 69.8 t90 -72.0 -38.37 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 107.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 69' ' ' ARG . 57.0 mt -62.22 -53.11 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.504 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 20.2 m -156.13 107.01 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tp -103.27 105.12 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -64.71 134.99 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.474 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 1.4 pp0? -170.13 141.81 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.5 tp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' CB ' ' A' ' 7' ' ' GLN . 41.1 t -75.38 -40.49 57.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -50.42 74.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.42 -28.73 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.93 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 95.9 t -59.99 -35.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.09 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.45 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.7 mt -60.18 -56.62 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.97 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.6 -42.39 83.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.17 -9.21 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 40.06 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.79 -56.82 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.73 -139.19 11.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.27 154.46 20.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -161.09 -174.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -118.52 144.13 46.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.0 139.93 37.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.86 138.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -102.68 123.79 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -77.52 -14.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.4 149.59 20.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.1 t0 81.58 -53.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.75 102.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.44 69.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.54 -38.31 86.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.5 mm-40 -60.48 -45.49 93.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -29.22 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.76 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LEU . 47.7 m-85 -110.54 -72.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.74 -72.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -93.97 -24.56 17.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -93.82 39.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -56.04 -50.14 89.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -74.99 74.13 4.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.6 t -117.05 130.38 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.44 114.38 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.53 162.78 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.608 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -129.12 166.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.5 tp -123.59 147.18 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -57.86 144.24 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.596 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.6 -58.41 14.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 105.89 2.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -141.73 -171.54 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -126.64 -172.31 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.46 -50.0 2.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -74.98 -21.32 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -31.96 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.885 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.42 -39.36 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.67 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.9 tpt85 -70.71 -49.64 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.47 -30.64 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 79.3 t90 -74.43 -37.92 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 69' ' ' ARG . 7.2 mt -63.03 -46.14 88.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 52' ' ' ARG . 1.2 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 91.4 m -156.13 113.73 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.57 120.81 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 39.5 m-85 -80.52 135.63 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.633 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 29.6 pt20 -127.93 169.64 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.743 ' HB3' HG21 ' A' ' 48' ' ' VAL . 24.2 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.83 HD23 ' HG3' ' A' ' 49' ' ' PRO . 13.2 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.8 m -69.5 -27.25 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.88 -57.46 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.72 -23.27 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 -50.24 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' CYS . 97.0 t -57.28 -36.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.85 -51.02 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.14 74.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -59.15 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.68 -45.45 77.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.38 -43.19 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . . . -77.54 -1.02 28.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 50.0 39.95 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.08 -59.99 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.13 -141.85 12.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.88 155.27 17.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -163.6 179.18 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -113.97 137.59 51.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 7' ' ' GLN . 2.1 m -104.22 133.82 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.0 125.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 7' ' ' GLN . 78.6 m-85 -84.4 125.82 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 41' ' ' GLU . 3.5 pt -79.85 -15.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 22.7 t0 -53.98 140.59 30.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.2 t0 82.14 -53.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.55 99.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -30.57 70.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.07 76.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.33 -32.84 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.7 mm-40 -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -28.55 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -43.15 66.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 6' ' ' TYR . 41.6 m-85 -114.31 -66.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.59 -83.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.8 mm? -82.62 -26.65 32.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.62 35.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -57.07 -49.36 94.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.83 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 74.12 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.3 t -122.5 125.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.84 114.78 26.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.693 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -115.16 163.94 14.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.5 169.63 9.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.965 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.1 pp20? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 68' ' ' LEU . 17.9 tp -127.5 146.71 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.27 151.1 20.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.717 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.15 -54.39 50.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.051 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -150.6 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.485 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 m-20 -134.56 177.58 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -68.88 -49.6 26.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -74.99 -24.44 12.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -32.86 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 51' ' ' LEU . 1.1 tp -79.32 -35.97 40.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -71.16 -49.31 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.6 -30.28 54.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 59' ' ' LEU . 63.6 t90 -73.15 -43.65 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 3' ' ' LEU . 30.7 mt -58.58 -51.12 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 28.7 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.8 m -155.78 105.76 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.77 111.69 23.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.92 136.15 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' HG13 ' A' ' 48' ' ' VAL . 13.8 pt20 -164.61 142.79 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 12.3 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.1 p -74.98 -37.9 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.31 -54.87 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -22.94 59.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -75.59 -50.2 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.29 -35.93 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.9 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.45 79.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -64.0 -57.74 8.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.97 -44.16 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -56.96 -43.77 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 39.96 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -49.34 -49.26 45.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.51 -139.64 11.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.76 154.97 17.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -162.17 -177.53 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -108.83 132.94 53.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -101.43 132.46 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.56 136.27 58.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -96.46 120.76 37.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 41' ' ' GLU . 1.3 pt -78.21 -20.96 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.3 p30 -51.1 145.79 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.5 t0 81.93 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.44 91.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.46 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.53 83.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.18 -33.29 71.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.0 mm-40 -65.71 -46.25 79.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -29.02 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.83 -43.19 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LEU . 29.1 m-85 -108.05 -69.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.01 -81.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -83.0 -29.17 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.18 36.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.52 -49.34 94.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HB2' ' CE3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.03 70.93 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.9 t -117.18 134.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -105.8 135.2 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.44 141.74 41.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.68 161.1 55.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.3 tp -112.64 147.33 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -50.17 159.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -64.58 -53.0 48.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -159.25 171.6 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -111.75 -174.03 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.69 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.73 -49.43 2.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.02 -22.11 15.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -33.09 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.42 -39.44 32.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -68.98 -50.14 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.87 -30.89 62.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 83.2 t90 -75.33 -34.42 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.67 -135.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 33.3 mt -75.55 176.69 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -156.04 110.79 2.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.381 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -112.56 102.71 10.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.44 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 85.1 m-85 -68.69 137.31 54.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.15 166.51 23.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.448 ' HB3' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -136.51 173.59 11.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.46 158.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t0 62.83 143.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.48 121.68 41.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.271 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -174.65 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD23 ' HG3' ' A' ' 49' ' ' PRO . 19.1 tp -67.69 -44.15 78.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 29.2 p -75.14 -27.06 59.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.9 -53.68 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -57.61 -34.4 69.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -62.75 -50.31 71.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.64 -35.97 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -48.56 81.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.09 88.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -62.98 -56.01 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.4 -47.15 76.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -58.52 -46.55 86.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -11.99 57.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.1 39.33 13.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.718 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.46 -62.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.61 -138.03 9.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.86 154.8 17.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -164.23 -178.92 5.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -113.59 136.93 52.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.36 140.24 35.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.8 t -127.28 130.95 70.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -95.25 124.7 39.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 2.8 pt -82.63 -18.17 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.32 75.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 168.96 -32.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.603 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.3 m-20 -114.36 106.38 14.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.87 70.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.58 -46.03 77.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.603 HD12 ' HB2' ' A' ' 37' ' ' ASP . 42.5 mt -70.27 -37.91 74.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -61.92 -44.84 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -36.51 76.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.26 63.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 24.6 m-85 -100.6 -71.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 61.09 -81.47 0.02 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.8 mm? -83.8 -30.66 26.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.789 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -90.5 37.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -52.28 -49.71 83.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -74.99 73.53 4.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.3 t -117.74 126.12 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.856 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -93.2 120.17 33.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 31.4 ttt85 -115.25 150.42 36.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.601 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -116.63 164.09 19.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.46 15.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -40.64 95.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.49 45.82 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 17.4 mtp180 -142.99 166.35 24.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.5 162.38 33.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 71' ' ' TRP . 21.5 tp -124.22 143.77 50.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -58.58 149.29 26.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.581 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -57.92 -53.68 63.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.016 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -74.97 111.76 3.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.8 . . . . 0.0 111.048 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.84 -173.11 4.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.463 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -127.15 -172.62 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.13 -49.84 2.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.708 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -31.57 40.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.856 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.44 -38.24 35.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.735 ' HA ' HD12 ' A' ' 72' ' ' LEU . 5.7 tpt85 -68.55 -50.36 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.82 61.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.614 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 87.8 t90 -75.01 -35.9 61.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.0 mt -65.98 -51.43 58.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.06 -30.57 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -52.39 -26.01 11.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -126.44 165.83 25.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.04 178.14 7.67 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -138.17 177.19 8.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.47 0.176 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.88 179.21 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 51' ' ' LEU . 1.5 mt -64.45 -177.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.503 HG21 ' HE ' ' A' ' 52' ' ' ARG . 5.0 m -155.52 112.45 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tp -114.21 114.27 25.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' CD1' HG22 ' A' ' 34' ' ' ILE . 31.8 m-85 -72.53 133.62 44.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -144.09 170.09 16.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 mtm105 -117.29 35.57 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.48 94.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 t70 63.47 111.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 t -163.68 151.1 12.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 108.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -70.11 -52.98 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.702 HD23 ' CD ' ' A' ' 49' ' ' PRO . 4.1 tp -53.94 -39.19 65.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 15.6 t -76.1 -43.57 42.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -50.91 -53.14 35.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.99 -31.74 65.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.4 -44.35 65.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.85 -37.91 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -51.0 71.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.4 83.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.616 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -64.61 -55.76 18.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.9 88.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.32 -44.23 84.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.02 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.03 39.6 31.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.569 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.07 -57.29 7.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.52 -137.69 9.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.63 154.67 19.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -162.17 -178.23 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -105.04 139.7 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 m -100.48 134.52 43.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.15 127.89 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -91.05 125.97 36.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 6' ' ' TYR . 1.2 pt -82.99 -15.84 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 3.4 p-10 -56.93 145.57 29.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 82.26 -52.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.98 97.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.31 77.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.77 80.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.7 mt -68.8 -34.78 76.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.8 mm-40 -64.58 -46.98 80.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -29.8 65.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.11 -43.88 64.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.0 m-85 -107.9 -70.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.18 -77.59 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.5 mm? -89.79 -26.81 20.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.76 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.4 37.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -56.05 -48.2 97.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.702 ' CD ' HD23 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 69.5 5.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 47' ' ' ARG . 8.0 t -116.02 126.49 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD22 HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.18 120.48 38.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HE ' HG21 ' A' ' 4' ' ' THR . 1.1 ptt85 -119.06 144.4 46.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.87 171.31 9.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -57.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -115.1 -16.36 11.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -75.67 -17.28 80.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 23.8 mtp180 80.59 -172.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.749 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 3.1 mp0 -105.99 133.82 50.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 68' ' ' LEU . 34.6 tp -99.58 146.96 25.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.0 t0 -56.79 162.44 2.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.606 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -69.02 -52.53 15.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 107.996 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.03 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -154.32 176.81 11.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.7 m-20 -114.92 -173.57 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.85 -49.54 2.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.07 -19.68 17.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.29 27.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.19 -34.97 42.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.74 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.0 tpt180 -72.41 -52.05 17.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.07 64.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.665 ' CD1' HD13 ' A' ' 59' ' ' LEU . 75.9 t90 -64.93 -39.72 93.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 69' ' ' ARG . 16.5 mt -61.84 -49.5 76.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -68.15 -36.51 79.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -40.52 -34.25 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.97 64.43 4.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.02 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -127.74 -66.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.494 0.187 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 -157.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -72.21 -175.16 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 96.7 m -156.05 110.66 2.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.437 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 tp -111.47 105.52 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -66.37 135.38 54.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -154.81 155.16 33.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.621 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -152.83 120.28 5.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 48.9 80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -41.2 114.91 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.89 -59.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -172.58 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.634 HD23 ' HG3' ' A' ' 49' ' ' PRO . 7.2 tp -48.33 -35.75 12.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 m -74.16 -39.46 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -52.76 64.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.17 -29.15 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.42 -50.17 28.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 68.4 t -61.33 -35.01 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -51.06 70.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.35 -40.14 77.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -60.23 -56.87 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.48 82.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.58 -38.38 81.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.23 -5.69 58.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.63 39.56 31.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -50.77 -55.25 17.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.14 -148.12 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.39 154.92 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -162.84 -179.2 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.16 148.0 27.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.11 139.54 45.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.0 t -129.84 137.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.03 118.65 36.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.521 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.4 pt -70.68 -12.48 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -59.57 172.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.48 35.84 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.15 94.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.69 84.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -68.74 -37.95 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 45' ' ' GLY . 7.7 mm-40 -62.21 -45.49 93.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.21 -30.15 64.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.02 66.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' LEU . 24.2 m-85 -111.62 -69.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.99 -83.22 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.9 mm? -79.66 -30.92 41.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -90.44 36.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.621 HG21 ' HG2' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -55.16 -49.53 91.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 73.84 4.18 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 47' ' ' ARG . 7.3 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.522 HD11 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.75 126.08 44.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' O ' HD23 ' A' ' 3' ' ' LEU . 7.5 ptm180 -125.84 150.63 47.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.594 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -110.67 166.34 10.95 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.29 9.25 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.452 ' HG3' ' CD ' ' A' ' 76' ' ' PRO . 0.9 OUTLIER -58.34 -40.01 81.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.45 41.58 0.35 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -141.08 155.45 46.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.767 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.55 148.8 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.995 HD23 HD12 ' A' ' 68' ' ' LEU . 15.7 tp -105.93 143.05 34.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -55.07 155.25 4.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.583 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -59.79 -53.74 62.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.4 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.421 1.748 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -149.64 -173.71 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.5 m-20 -128.49 -173.88 3.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.8 -49.67 2.58 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.75 15.61 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -33.28 26.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.995 HD12 HD23 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -79.06 -40.25 31.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.13 -46.71 79.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.78 -32.96 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.594 ' CH2' ' OD2' ' A' ' 53' ' ' ASP . 77.4 t90 -75.08 -39.83 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.805 HD23 ' O ' ' A' ' 68' ' ' LEU . 2.8 mm? -52.08 -53.88 37.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 75' ' ' ALA . 1.5 m-20 -60.08 -42.09 93.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -46.87 -25.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -123.12 165.8 20.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.07 178.63 7.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' NE2' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -137.05 166.53 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.608 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ttm . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.491 0.186 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.37 -166.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.677 HD23 ' HA ' ' A' ' 53' ' ' ASP . 14.1 mt -68.65 174.66 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.7 m -155.75 107.94 2.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -109.04 101.54 10.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 98.1 m-85 -65.24 133.27 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -140.53 168.45 19.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.475 ' HG2' HG11 ' A' ' 48' ' ' VAL . 8.1 ptt180 -136.94 178.21 7.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -46.67 -65.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -48.73 115.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -111.1 113.18 25.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -167.73 -66.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.592 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.649 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp -69.79 -34.23 73.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -74.23 -35.54 63.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -56.44 -40.06 74.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -71.63 -26.95 62.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.261 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.68 -51.06 24.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.95 -37.39 41.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.94 -50.83 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.96 80.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.16 -55.76 29.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -46.92 75.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -56.96 -43.92 82.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.74 -11.3 60.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.29 39.72 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.794 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.01 -44.81 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.53 -137.66 14.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 154.47 17.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -162.44 -175.0 4.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -110.01 143.38 40.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.89 139.58 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.6 t -133.17 132.26 58.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -103.31 119.7 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 1.3 pt -71.53 -15.89 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.8 p-10 -56.72 140.48 47.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.6 t0 81.95 -53.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.03 102.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.14 74.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.82 -51.03 71.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.9 -34.93 78.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.77 -47.65 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -28.99 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.63 65.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' HE1' HG11 ' A' ' 50' ' ' VAL . 59.5 m-85 -110.67 -71.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 66.14 -71.75 0.14 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -93.76 -29.75 15.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.11 37.07 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.3 t -53.26 -48.67 91.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.649 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.03 74.56 3.98 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 47' ' ' ARG . 12.0 t -121.83 124.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -95.16 127.15 40.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -128.05 151.04 49.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.677 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -106.65 168.34 8.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -27.4 10.07 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -44.37 93.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.81 45.17 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -141.66 157.09 45.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.769 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -137.86 165.04 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.818 HD23 HD12 ' A' ' 68' ' ' LEU . 20.3 tp -122.42 146.92 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -61.3 141.81 57.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -45.7 -53.4 20.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 107.979 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 111.37 3.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.43 -173.11 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -128.29 -173.23 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.04 -49.89 2.35 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -22.45 14.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -32.49 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.818 HD12 HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -79.45 -39.48 32.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.654 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -70.23 -48.06 58.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.48 -30.66 65.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.598 ' CH2' ' OD1' ' A' ' 53' ' ' ASP . 79.7 t90 -74.67 -38.62 62.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 69' ' ' ARG . 14.9 mt -61.66 -47.47 85.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -66.19 -34.66 78.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -51.94 -22.55 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.73 138.07 1.05 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 77' ' ' HIS . 18.3 Cg_endo -75.0 171.18 18.83 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.4 OUTLIER 38.46 89.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.583 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpp? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.491 0.186 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.58 -169.75 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 53' ' ' ASP . 36.1 mt -60.42 177.01 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -155.09 114.95 3.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 tp -117.07 101.04 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 79.7 m-85 -65.83 134.26 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -167.26 160.11 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.6 107.07 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.07 147.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 125.59 46.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.63 -66.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -169.15 -59.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' CD2' ' HG3' ' A' ' 49' ' ' PRO . 3.0 tp -45.06 -45.75 11.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.3 t -68.36 -43.0 78.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -53.36 -43.55 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.248 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.9 -38.56 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.87 84.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.01 -38.79 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -50.83 71.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -40.98 74.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD21 HD21 ' A' ' 51' ' ' LEU . 4.9 mt -58.97 -58.73 7.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.69 -46.68 74.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.33 -42.94 82.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.58 -10.18 59.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.97 39.76 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -55.42 32.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.76 -141.1 13.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.58 154.43 20.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -161.12 -172.87 3.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -113.31 153.23 28.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -117.89 144.52 45.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -137.4 132.21 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -93.59 130.27 39.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.1 pt -85.23 -19.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.5 t0 -55.82 141.56 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 11.4 t0 81.84 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.19 94.3 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.19 -34.48 75.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.86 83.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.85 -33.74 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.4 mm-40 -66.04 -47.28 74.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -30.1 64.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.89 69.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 14.4 m-85 -115.08 -73.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.2 -74.06 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.9 OUTLIER -90.08 -31.79 16.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.824 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -89.76 36.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -51.64 -49.1 84.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.02 74.4 4.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.6 t -115.65 125.6 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -92.29 114.26 26.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.5 ttt180 -111.26 151.13 28.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.688 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -110.94 168.77 7.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -22.25 15.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.479 ' SD ' ' CD ' ' A' ' 76' ' ' PRO . 13.1 mtp -70.4 -45.59 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.36 49.65 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.78 154.51 50.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -128.37 153.22 47.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.644 HD23 HD12 ' A' ' 68' ' ' LEU . 22.9 tp -124.64 145.08 49.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 1.2 t0 -58.49 152.19 18.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.597 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -61.02 -53.07 67.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 107.994 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.0 108.98 2.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.65 -175.63 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -124.97 -172.85 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.38 -49.72 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.0 -21.67 15.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.811 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -32.91 26.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.898 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.38 -39.35 32.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.623 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -67.85 -48.0 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.54 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.472 ' CD1' HD13 ' A' ' 59' ' ' LEU . 82.6 t90 -74.44 -40.07 62.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.047 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 69' ' ' ARG . 9.7 mt -64.44 -52.27 58.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -57.26 -38.1 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -123.61 169.56 10.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo -75.01 170.79 19.65 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.76 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -138.84 177.35 7.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.571 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mmt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.496 0.189 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.76 171.44 14.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 53' ' ' ASP . 4.2 mt -115.4 -179.45 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 46.3 m -148.81 106.84 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.42 HD21 ' SG ' ' A' ' 14' ' ' CYS . 1.7 tp -106.38 121.1 43.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -81.89 139.36 34.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.43 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 15.1 pt20 -135.57 165.16 26.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HB2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -123.22 35.06 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 3.6 t0 78.06 -56.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' ASP . 7.5 t0 -40.48 119.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -94.74 71.43 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -150.8 -78.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.29 -45.52 80.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 10.8 t -76.03 -35.92 59.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -52.33 -54.68 28.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.92 -24.87 62.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.78 -46.86 51.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.52 -35.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -51.04 71.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.85 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 51' ' ' LEU . 2.4 mt -59.43 -58.69 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.1 75.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.81 -40.81 80.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.73 -1.77 32.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.6 39.64 21.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.11 -68.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.4 -136.41 5.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.71 154.39 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -162.15 179.3 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -114.32 147.14 39.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -104.09 134.93 46.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.39 136.78 59.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -102.96 117.79 35.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.5 pt -71.27 -8.33 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -80.41 66.81 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -177.46 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.824 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.1 m-20 -107.54 109.26 20.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.62 69.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.97 -44.02 86.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.824 HD12 ' HB2' ' A' ' 37' ' ' ASP . 16.4 mt -72.54 -32.24 65.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.9 mm-40 -67.43 -47.6 69.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.0 -29.25 62.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.73 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 32.6 m-85 -106.69 -70.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 65.13 -72.03 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -96.4 -24.71 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.747 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.63 37.43 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.617 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.3 t -56.34 -45.55 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -74.96 67.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.4 t -116.66 124.76 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.584 HD13 HD11 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -92.36 119.13 31.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -107.75 150.67 26.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.479 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -119.68 162.43 32.77 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -18.57 18.69 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.59 -39.71 84.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.0 44.6 0.4 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.46 ' HD2' ' CG ' ' A' ' 76' ' ' PRO . 0.5 OUTLIER -138.78 170.34 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -141.59 143.27 33.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.777 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -105.75 146.27 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 t0 -63.45 148.8 47.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -56.12 -54.26 54.53 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 107.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -152.85 -171.36 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -131.14 -172.96 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.99 -49.99 2.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.01 -24.33 12.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -32.54 42.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.72 HD12 HD13 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.23 -39.84 32.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 72' ' ' LEU . 8.2 tpt180 -69.8 -49.11 55.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -31.52 59.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.777 ' CE3' HD12 ' A' ' 59' ' ' LEU . 66.2 t90 -71.32 -39.07 71.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 107.989 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 69' ' ' ARG . 43.2 mt -65.2 -50.87 64.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -36.04 82.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -41.49 -33.48 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . . . 39.67 86.45 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.46 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 18.4 Cg_endo -74.99 171.25 18.7 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.543 1.812 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -66.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.464 0.174 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.75 137.04 37.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.72 -178.03 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.4 m -139.11 106.61 5.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -109.92 102.41 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 48' ' ' VAL . 71.2 m-85 -66.11 143.09 57.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.663 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.9 pt20 -173.15 151.83 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.03 90.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.31 117.48 14.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -108.81 -45.47 3.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' ASP . 5.6 t-80 -167.23 -60.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.578 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 1.0 OUTLIER -44.92 -43.08 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.37 -39.3 68.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 108.316 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' HIS . 4.1 t70 -54.6 -37.77 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.05 -39.33 90.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.428 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -59.07 -49.82 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.23 -35.15 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -50.19 74.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.66 79.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -63.86 -59.23 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.46 72.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -56.47 -50.68 71.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.646 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -67.54 -13.47 62.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.65 38.56 7.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -49.17 -61.0 2.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.71 -137.08 8.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.65 154.55 17.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 0.804 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -163.11 -179.91 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -112.29 142.9 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.35 142.19 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.17 134.34 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -100.45 135.32 42.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.4 pt -89.04 -15.57 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -52.4 166.6 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 41.62 58.82 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 172.45 94.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.59 77.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.89 -45.98 60.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.87 -30.92 65.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' GLY . 22.9 mt-10 -67.18 -49.47 64.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.45 -29.43 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.34 -44.29 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 62.0 m-85 -116.56 -66.49 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 48' ' ' VAL . . . 63.05 -76.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.2 mm? -95.59 -22.84 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.695 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -93.07 38.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 7' ' ' GLN . 2.5 t -64.47 -44.85 76.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.01 60.82 5.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 47' ' ' ARG . 22.5 t -109.52 124.4 66.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.65 118.27 25.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 53' ' ' ASP . 9.7 ttt180 -111.92 148.99 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.495 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -118.04 163.18 25.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.01 15.3 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.22 -44.92 90.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.15 49.3 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 8.4 mtm180 -141.18 161.42 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE2' ' CG1' ' A' ' 50' ' ' VAL . 5.1 mt-10 -135.95 145.1 45.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.6 tp -117.07 143.67 45.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' C ' ' OD1' ' A' ' 60' ' ' ASP . 44.1 p30 -52.85 161.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -70.06 -54.8 9.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.004 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.425 ' CD2' HD12 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -153.72 -173.14 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.4 m-20 -125.29 -172.27 2.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.71 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.33 -49.78 2.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.05 -21.87 15.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -32.0 27.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.123 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.45 -39.09 33.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.791 ' HA ' HD12 ' A' ' 72' ' ' LEU . 7.5 tpt180 -71.89 -49.07 41.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -54.91 -29.94 57.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.519 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 66.1 t90 -71.19 -37.77 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 108.024 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 69' ' ' ARG . 5.6 mt -66.02 -49.66 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ALA . 33.5 t0 -68.79 -36.5 78.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -40.28 -33.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.557 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . 56.13 166.56 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.557 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo -74.99 177.08 9.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.787 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.5 -70.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.292 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.447 0.165 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.2 179.63 7.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 53' ' ' ASP . 34.3 mt -71.07 177.7 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.4 m -155.08 113.2 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.384 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.48 102.33 10.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -64.07 134.54 55.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -166.39 148.42 6.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.505 ' HE ' HG21 ' A' ' 48' ' ' VAL . 0.7 OUTLIER -138.71 123.29 18.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 64.19 101.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -40.23 118.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -128.47 168.97 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -44.83 71.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.5 OUTLIER -57.45 -30.98 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.6 m -75.38 -47.56 26.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -34.9 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -31.21 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 -48.0 40.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -59.66 -37.08 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.53 -51.03 71.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.39 80.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 51' ' ' LEU . 4.2 mt -62.18 -57.93 9.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.76 -46.25 74.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.32 -44.44 79.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.238 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.8 -13.49 61.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.02 40.02 12.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.06 -52.71 57.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.7 -140.58 11.84 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.73 156.07 16.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -158.47 179.76 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -112.53 140.64 47.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -92.85 129.84 38.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.6 t -125.59 127.1 71.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.55 122.07 36.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.592 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -75.94 -17.82 15.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.48 78.26 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.05 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.843 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.2 m-20 -108.94 96.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.6 -36.72 25.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.78 84.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 37' ' ' ASP . 24.2 mt -71.94 -35.56 69.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.37 -46.15 81.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -29.0 63.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.93 -41.54 59.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 12.8 m-85 -106.37 -74.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.17 -74.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.6 mm? -90.15 -28.45 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -92.38 38.3 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.592 HG22 HG12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -52.41 -49.3 86.21 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.08 74.26 4.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.512 1.796 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 47' ' ' ARG . 4.2 t -116.61 126.67 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.676 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -95.36 119.14 33.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -115.43 163.76 15.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.8 168.77 13.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -27.45 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.449 ' HG3' ' CD ' ' A' ' 76' ' ' PRO . 1.1 mtp -60.46 -40.12 90.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.3 40.82 0.46 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -139.44 159.26 42.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.7 pp20? -138.24 166.33 24.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.3 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 68' ' ' LEU . 29.1 tp -125.16 146.66 49.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.51 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.57 157.73 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.608 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -63.71 -54.81 39.1 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 108.035 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.02 116.34 4.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -155.02 177.52 11.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.464 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.3 m-20 -115.27 -172.24 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.03 -49.59 1.94 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -31.52 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.832 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -79.32 -40.69 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -45.84 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.86 -31.97 60.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.633 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 77.6 t90 -75.53 -40.11 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' O ' ' A' ' 68' ' ' LEU . 3.4 mm? -51.61 -53.65 36.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -58.79 -38.48 78.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -48.73 -24.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -123.71 162.59 39.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo -75.02 170.88 19.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.37 151.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.498 0.189 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.03 167.13 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mt -89.66 -178.03 5.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.475 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 73.4 m -156.0 115.72 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 tp -110.85 108.91 18.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -69.76 128.63 37.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.51 152.2 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.6 ttp85 -124.44 116.86 23.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.286 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.55 173.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -93.85 125.47 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 173.08 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 108.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -74.57 -53.7 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 61' ' ' TRP . 0.8 OUTLIER -49.93 -40.55 43.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.0 m -70.32 -39.95 74.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -57.67 -37.67 73.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.12 -32.82 74.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -69.96 -50.32 42.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -58.11 -35.3 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -50.39 74.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.16 80.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD21 HD21 ' A' ' 51' ' ' LEU . 3.9 mt -59.27 -57.22 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.56 71.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -56.32 -49.08 75.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.92 -14.05 62.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.55 38.94 7.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.71 -62.44 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.16 -136.86 8.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.68 154.7 17.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -161.64 -177.8 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -116.4 140.93 48.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -93.26 144.6 25.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -136.24 128.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -96.35 118.14 32.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.2 pt -68.48 -16.4 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -51.92 169.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 45.44 41.64 6.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -167.32 97.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.59 -34.44 75.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.04 -50.24 73.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.34 -38.91 88.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 45' ' ' GLY . 6.3 mm-40 -61.03 -46.73 89.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -30.35 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -44.2 55.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 46' ' ' LEU . 27.1 m-85 -109.94 -71.49 0.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.47 -87.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.1 mm? -72.29 -35.42 68.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.807 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.57 35.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -51.2 -50.46 75.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.98 74.08 4.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -115.57 125.84 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.751 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -89.46 114.22 25.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -111.83 166.15 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD1' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -130.74 163.58 47.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.32 17.89 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.9 mmm -67.55 -41.65 83.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 50.33 0.2 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.71 159.67 41.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -135.54 162.36 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 71' ' ' TRP . 35.1 tp -134.34 145.73 49.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.05 160.79 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.14 -54.19 21.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 116.29 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.801 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -152.48 -172.41 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.467 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.4 m-20 -126.72 -172.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.1 -49.73 2.35 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.99 -21.64 15.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.07 -32.81 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.751 HD11 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -79.45 -39.42 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.721 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.6 tpt180 -67.42 -48.96 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.58 ' CZ2' ' OD1' ' A' ' 53' ' ' ASP . 85.9 t90 -74.43 -37.64 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.3 mt -60.79 -43.73 97.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.42 -6.82 53.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -90.03 -20.4 23.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.842 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -49.69 -54.77 28.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.842 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.03 170.48 20.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' PRO . 10.7 t-80 88.25 -43.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.501 0.191 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.92 161.97 13.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 53' ' ' ASP . 1.3 mt -124.12 -175.65 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 27.6 m -146.37 113.17 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -109.51 104.9 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -63.94 137.82 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' HA ' HG13 ' A' ' 48' ' ' VAL . 1.6 pp0? -174.67 142.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.8 123.78 25.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.0 t70 64.31 129.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -44.72 117.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 163.51 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -78.5 -57.09 3.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.603 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.635 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.0 tp -45.62 -41.1 9.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 41.9 t -72.17 -38.28 69.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 12' ' ' HIS . 30.4 t0 -56.65 -51.33 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.12 -28.01 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.64 -50.4 44.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.5 t -56.51 -35.0 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -51.22 70.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.44 -39.71 80.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -59.59 -52.86 63.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.68 93.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.62 -40.26 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.02 -12.53 59.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 39.98 16.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.71 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -52.37 -58.77 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.34 -136.08 8.37 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 154.95 17.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.01 178.27 10.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -109.75 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 p -89.02 125.44 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.3 t -119.6 134.25 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -101.07 124.83 47.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG12 HG22 ' A' ' 48' ' ' VAL . 1.4 pt -78.49 -17.5 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.4 p-10 -53.89 146.51 13.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 109.245 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 5.3 t0 81.63 -53.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.8 98.84 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.48 -35.64 81.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.5 -50.34 74.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.2 -35.99 80.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -63.15 -47.2 83.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -30.97 68.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.49 -44.86 66.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' LEU . 30.8 m-85 -108.13 -71.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 62.81 -78.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' TYR . 2.4 mm? -85.45 -27.23 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.754 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -91.92 36.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -53.83 -49.76 87.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.96 73.04 4.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.2 t -118.33 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -95.38 118.89 32.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.9 OUTLIER -119.19 160.37 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.574 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -122.36 171.42 6.44 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -24.5 12.94 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.812 ' SD ' ' HB1' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -60.11 -40.99 91.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 110.992 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.74 46.33 0.32 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.443 1.09 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.4 ' O ' ' OD1' ' A' ' 53' ' ' ASP . 22.1 mtt-85 -142.93 174.75 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -145.7 162.27 37.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.896 HD23 HD12 ' A' ' 68' ' ' LEU . 25.5 tp -122.0 144.51 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.597 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -56.02 145.67 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -54.92 -58.55 14.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 108.025 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.525 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.04 110.97 3.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -147.85 -171.19 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.2 m-20 -127.97 -174.36 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.24 -49.46 3.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -75.02 -21.55 15.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.12 -33.27 26.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.896 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.35 -39.22 33.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -67.93 -48.73 65.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.0 64.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.604 ' CD1' HD13 ' A' ' 59' ' ' LEU . 76.4 t90 -74.82 -36.46 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.08 -44.57 94.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.8 -8.7 55.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.83 -17.3 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.812 ' HB1' ' SD ' ' A' ' 55' ' ' MET . . . -53.46 -51.65 73.89 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.756 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.03 -174.86 2.1 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.86 -64.27 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.51 0.195 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.29 178.28 7.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 53' ' ' ASP . 7.9 mt -95.29 -177.48 4.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 15.8 m -155.05 119.23 4.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.369 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -117.64 102.62 9.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 56.0 m-85 -63.92 135.16 56.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.402 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . 19.3 pt20 -143.26 169.12 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HG2' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -147.14 114.6 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 48.75 39.31 13.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.7 t0 43.78 86.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.4 t -77.04 132.7 39.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -31.66 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.15 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.7 OUTLIER -70.85 -42.42 70.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' CYS . 98.2 m -51.89 -42.37 62.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.85 -48.89 63.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.48 -29.86 70.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -45.35 60.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 67.3 t -61.17 -35.02 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.72 -46.48 87.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -39.23 88.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -61.47 -56.33 21.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.05 -46.32 75.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -57.08 -45.64 83.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -10.64 60.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 39.11 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.63 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.8 -64.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.89 -134.93 6.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.64 154.59 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -154.37 177.29 11.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -110.71 132.98 53.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 p -91.45 112.47 24.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.0 t -106.79 130.54 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -100.49 123.33 44.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.8 pt -79.42 -20.03 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -51.66 141.65 16.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 83.15 -50.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.29 101.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.5 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.43 -51.07 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 44' ' ' TYR . 50.9 mt -66.82 -39.66 87.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLY . 3.5 mm-40 -58.77 -44.48 90.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -28.84 62.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.97 -45.64 48.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 54.6 m-85 -108.43 -64.59 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 59.37 -83.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.6 mm? -86.54 -25.64 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.08 36.07 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.603 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 2.2 t -54.47 -46.6 99.07 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.94 74.47 3.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.79 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 47' ' ' ARG . 10.1 t -123.76 124.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -97.36 119.99 36.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.5 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 10.6 ptm180 -117.22 150.3 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.538 ' OD1' ' CZ3' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -111.28 170.22 5.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -28.14 9.37 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.8 mmt -57.5 -40.42 78.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.65 46.74 0.26 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -154.65 166.57 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -139.84 162.89 34.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.014 HD23 HD12 ' A' ' 68' ' ' LEU . 21.2 tp -113.56 146.03 40.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -56.91 143.31 38.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 1.15 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -47.07 -53.68 25.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -74.98 112.39 3.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.47 -171.34 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.459 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.9 m-20 -130.42 -173.94 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.66 -49.79 2.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.2 Cg_endo -74.98 -21.55 15.79 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 -33.41 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 59' ' ' LEU . 1.1 tp -79.26 -39.37 33.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 72' ' ' LEU . 11.9 tpt180 -68.49 -48.93 63.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -32.13 65.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.538 ' CZ3' ' OD1' ' A' ' 53' ' ' ASP . 76.9 t90 -73.81 -37.97 64.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.041 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 69' ' ' ARG . 48.5 mt -61.48 -45.27 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -6.96 50.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.11 -18.77 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.792 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -54.19 -53.32 60.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.05 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.03 26.81 7.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.645 ' N ' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.487 0.184 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.89 -146.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -82.2 -175.2 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.0 m -149.64 137.32 20.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -122.23 104.34 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -64.33 137.76 58.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -144.23 169.96 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.47 173.63 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -41.13 -42.39 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -49.7 117.05 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.7 m -95.9 -175.94 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 108.322 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.7 m80 73.16 -66.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 61' ' ' TRP . 3.9 tp -53.81 -45.72 70.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 33.6 t -75.94 -44.95 37.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -51.41 -52.62 44.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -59.75 -29.3 68.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -69.65 -50.41 44.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.7 t -61.3 -39.26 82.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -51.02 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.38 75.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -60.66 -56.62 19.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -46.67 74.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -57.26 -42.73 82.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.71 -1.74 29.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 50.73 39.66 22.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.773 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -48.12 -67.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.92 -135.61 8.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.42 154.09 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -166.47 -171.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CZ ' ' N ' ' A' ' 1' ' ' MET . 9.6 m-85 -116.06 153.49 31.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.11 140.0 53.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.986 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.95 137.78 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -101.9 116.93 33.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.56 ' CD1' ' CG2' ' A' ' 48' ' ' VAL . 4.0 pt -70.75 -13.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.82 162.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.7 t0 45.71 51.72 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -172.75 98.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.27 75.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.27 -49.94 74.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -66.75 -39.13 87.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.2 mm-40 -61.23 -44.96 96.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -29.0 62.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.82 44.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.362 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' LEU . 41.2 m-85 -112.05 -64.46 1.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 41' ' ' GLU . . . 52.85 -89.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -73.55 -28.6 61.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 0.79 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -90.98 34.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -58.33 -49.93 90.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.02 64.26 6.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.2 t -108.41 130.01 61.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.926 HD12 HD11 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -96.41 123.05 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -124.64 146.45 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.613 ' OD2' ' CZ2' ' A' ' 71' ' ' TRP . 0.1 OUTLIER -114.2 163.94 17.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -16.83 20.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 mmt -67.35 -29.22 68.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.23 44.68 0.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 1.5 mtp-105 -145.29 156.85 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HG2' ' CG ' ' A' ' 52' ' ' ARG . 54.3 mt-10 -134.51 168.73 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD23 HD12 ' A' ' 68' ' ' LEU . 40.3 tp -128.78 146.62 50.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.554 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -63.74 133.9 54.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -43.82 -53.23 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -140.52 -171.4 3.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.2 m-20 -126.42 -172.06 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.12 -50.15 2.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.96 -21.84 15.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.536 1.809 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -31.37 27.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.926 HD11 HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -79.41 -39.92 31.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.733 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.01 -46.89 73.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.38 -30.94 67.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.613 ' CZ2' ' OD2' ' A' ' 53' ' ' ASP . 67.4 t90 -72.78 -33.8 66.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 69' ' ' ARG . 8.7 mt -69.78 -50.06 46.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -32.3 63.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -52.91 -24.9 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.05 95.38 39.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.51 18.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 178.08 148.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.469 0.176 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.81 123.58 21.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.18 -177.48 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 m -136.12 109.59 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -111.41 102.26 10.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 42.0 m-85 -62.84 134.19 55.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -165.88 148.92 7.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -133.37 115.01 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' ARG . 1.7 t0 61.31 121.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' ASP . 12.0 t70 -40.35 109.28 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -124.53 155.11 39.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -62.04 -37.28 84.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 49' ' ' PRO . 6.4 tp -60.99 -40.97 95.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 t -74.39 -43.06 58.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.13 -45.95 61.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -61.77 -26.68 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -72.87 -47.45 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -59.53 -37.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.55 -50.55 72.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.6 84.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.754 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -62.56 -57.42 11.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -47.17 74.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.64 -39.95 82.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.42 -0.45 29.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.21 40.1 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.91 -57.71 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.01 -138.72 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.09 154.98 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.61 179.2 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -111.47 140.81 45.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.72 139.89 33.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -130.02 133.92 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.43 118.84 36.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HG22 ' A' ' 48' ' ' VAL . 2.5 pt -71.43 -13.5 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER -49.93 165.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.1 t0 44.1 51.33 7.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' CB ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -173.59 99.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.46 71.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.43 -49.75 76.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 37' ' ' ASP . 31.5 mt -67.02 -36.2 81.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.4 mm-40 -65.35 -44.74 86.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -30.74 64.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.38 -44.41 58.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' LEU . 40.1 m-85 -110.97 -66.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.596 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 52.46 -89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -70.15 -33.44 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -92.03 32.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.647 HG22 ' CD1' ' A' ' 34' ' ' ILE . 0.9 OUTLIER -46.63 -50.0 43.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.4 Cg_endo -75.02 73.18 4.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.7 t -116.21 127.28 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 HD11 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -86.42 130.24 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -130.91 146.81 52.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.59 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -115.32 171.23 4.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.5 12.7 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.4 mtt -59.22 -20.67 56.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.94 4.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -135.38 162.82 31.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.269 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.55 167.42 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 68' ' ' LEU . 17.4 tp -124.79 146.12 49.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -55.4 149.2 13.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.601 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.2 OUTLIER -56.35 -52.76 70.58 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 108.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -75.07 111.92 3.44 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -150.42 -175.58 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.8 m-20 -127.3 -173.01 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.728 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.44 -50.14 2.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.728 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.5 Cg_endo -74.97 -21.99 15.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -32.17 29.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.899 HD11 HD12 ' A' ' 51' ' ' LEU . 1.1 tp -79.27 -39.85 31.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 72' ' ' LEU . 12.9 tpt180 -68.51 -49.43 59.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.78 -31.47 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' A' ' 59' ' ' LEU . 67.5 t90 -73.87 -41.53 62.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 108.02 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 69' ' ' ARG . 6.4 mt -59.02 -49.6 77.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -64.97 -39.65 93.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -40.25 -35.66 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.9 64.42 4.37 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -75.0 -178.27 4.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.61 -72.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.548 0.213 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.489 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -162.56 -170.43 2.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 53' ' ' ASP . 13.8 mt -77.91 -177.83 5.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.3 m -155.88 110.69 2.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tp -109.31 103.75 12.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.505 ' CE2' ' OH ' ' A' ' 44' ' ' TYR . 66.9 m-85 -64.13 131.5 47.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -164.83 154.63 13.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -136.06 116.06 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.06 125.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -43.04 117.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.93 164.67 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -56.64 5.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.9 tp -46.49 -39.72 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' O ' HG23 ' A' ' 18' ' ' VAL . 34.8 t -73.28 -44.99 58.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.268 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -49.03 61.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -59.91 -35.7 75.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -64.8 -43.45 93.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 14' ' ' CYS . 81.7 t -60.88 -34.98 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -51.1 71.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.87 -40.69 69.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -57.71 -55.82 29.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.12 83.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.52 -42.78 83.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.49 -10.1 59.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.54 40.35 23.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.663 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -56.27 -61.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.56 -138.66 10.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -95.15 154.74 17.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -157.36 179.06 9.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 2' ' ' ALA . 76.8 m-85 -116.92 142.04 47.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.95 142.87 26.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -135.92 128.47 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -91.43 124.96 36.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -74.48 -15.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 2.2 p-10 -58.23 148.43 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 8.8 t0 82.05 -53.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.691 ' CB ' HD12 ' A' ' 40' ' ' LEU . 3.0 m-20 -71.4 82.87 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.18 -39.04 59.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.22 81.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.691 HD12 ' CB ' ' A' ' 37' ' ' ASP . 47.1 mt -70.8 -32.66 69.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.2 mm-40 -66.62 -47.44 72.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -29.48 64.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.011 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.27 61.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' OH ' ' CE2' ' A' ' 6' ' ' TYR . 32.8 m-85 -104.95 -71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.07 -81.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.9 mm? -81.88 -30.98 31.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.3 36.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -51.54 -49.99 79.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 74.03 4.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.8 t -117.37 125.51 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -85.8 114.89 23.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.59 145.38 39.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.557 ' HA ' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -110.13 165.75 12.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.0 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 mmt -64.95 -51.66 60.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.39 48.52 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -139.25 158.18 44.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 0.778 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -131.61 166.95 20.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 71' ' ' TRP . 13.1 tp -135.87 146.79 47.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.577 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -65.41 142.86 58.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.548 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -47.39 -53.59 28.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 107.992 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.01 113.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.577 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.64 -171.31 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.471 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -130.58 -175.46 3.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -75.18 -49.58 4.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -75.0 -22.5 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.447 1.761 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.15 -32.38 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.39 -39.78 31.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.3 tpt85 -67.89 -48.56 65.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.58 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.928 ' CD1' HD13 ' A' ' 59' ' ' LEU . 67.2 t90 -74.12 -32.91 63.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 69' ' ' ARG . 55.1 mt -65.3 -44.42 87.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.34 -11.62 59.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.12 -18.57 25.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -46.36 -52.31 29.82 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.04 -170.53 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.34 96.84 6.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.51 0.195 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.91 148.26 49.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 53' ' ' ASP . 29.3 mt -98.91 -177.54 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.531 HG23 HG23 ' A' ' 32' ' ' VAL . 49.6 m -152.4 111.13 3.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.367 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.67 116.66 32.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -76.2 133.12 40.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.71 142.93 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -82.75 176.45 9.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.54 84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.78 175.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -153.02 129.38 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.415 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -166.51 -75.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.627 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' CE2' ' A' ' 61' ' ' TRP . 0.4 OUTLIER -77.12 -30.27 55.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.7 p -58.02 -23.24 53.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 108.326 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 16' ' ' GLN . 9.0 p-10 -50.25 -50.69 49.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 3.2 mt-30 -64.41 -33.51 76.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.75 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -66.19 -34.99 73.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -50.99 68.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.42 79.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -61.51 -56.98 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.86 74.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.39 -47.48 78.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.14 -10.31 57.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 59.45 39.98 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.661 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -54.08 -60.97 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.96 -136.64 8.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.43 155.92 16.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -155.66 178.35 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -114.33 136.92 52.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.0 p -88.36 135.28 33.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 4' ' ' THR . 80.6 t -127.84 133.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.37 119.4 36.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' CD1' HG22 ' A' ' 48' ' ' VAL . 1.3 pt -78.3 -16.28 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.73 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 166.96 -35.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.876 ' HB2' HD12 ' A' ' 40' ' ' LEU . 2.0 m-20 -111.9 97.01 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.8 -35.02 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.71 75.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.876 HD12 ' HB2' ' A' ' 37' ' ' ASP . 15.4 mt -73.56 -32.96 64.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG2' HD12 ' A' ' 34' ' ' ILE . 2.8 mm-40 -67.03 -46.21 75.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -29.2 65.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.9 -44.38 32.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 46' ' ' LEU . 17.8 m-85 -103.44 -70.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 54.93 -86.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.4 mm? -75.71 -31.66 59.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.811 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -90.01 35.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -49.22 -49.29 70.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.99 71.02 5.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 47' ' ' ARG . 2.8 t -114.79 126.41 72.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -93.53 117.19 29.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.467 ' CD ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.71 165.04 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.278 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.596 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.4 OUTLIER -121.17 168.02 11.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' N ' ' NH2' ' A' ' 52' ' ' ARG . 18.4 Cg_endo -75.0 -30.42 7.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.0 ptp -64.48 -37.35 87.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.67 45.7 0.26 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.07 162.95 25.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -145.41 160.83 40.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.827 HD23 HD12 ' A' ' 68' ' ' LEU . 20.5 tp -134.8 143.18 46.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 3.1 t0 -54.53 160.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.713 ' CE2' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -66.46 -52.87 33.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.95 111.95 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -152.14 -177.75 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -123.22 -169.99 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -78.44 -50.75 1.61 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.01 -21.38 15.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -32.36 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.827 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.33 -38.76 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.1 tpt180 -71.55 -48.23 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.48 -30.35 60.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.7 ' CG ' HD13 ' A' ' 59' ' ' LEU . 54.7 t90 -69.57 -38.86 77.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 107.995 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 69' ' ' ARG . 25.4 mt -64.11 -52.36 59.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 75' ' ' ALA . 5.3 m-20 -64.38 -41.36 96.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -41.43 -31.41 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.877 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . 50.09 -178.59 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.877 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo -74.98 -172.34 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -58.64 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.463 0.173 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . . . -93.35 136.97 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -102.98 -175.84 2.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 57.9 m -147.57 105.1 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.37 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.625 HD22 ' CD1' ' A' ' 21' ' ' LEU . 3.2 tp -114.9 107.4 15.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -65.41 135.99 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -149.5 164.12 35.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -151.61 113.05 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.6 t0 54.04 171.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -72.12 92.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.92 162.41 14.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 108.328 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -78.08 -54.54 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.623 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 8.8 tp -45.65 -36.25 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.8 m -76.11 -46.95 26.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 108.289 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.81 -51.05 54.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -59.45 -32.75 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 61' ' ' TRP . . . -71.1 -50.84 29.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.76 -35.49 64.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -50.44 73.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.65 80.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.625 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -62.33 -57.7 10.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.95 74.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.46 -49.41 72.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -10.27 50.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.76 39.99 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -48.72 -62.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.3 -136.54 8.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.09 157.35 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -166.41 -179.13 4.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE2' ' CB ' ' A' ' 2' ' ' ALA . 29.4 m-85 -102.27 134.85 44.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -98.91 129.81 45.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.9 t -118.56 136.81 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -100.51 123.95 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' ' 41' ' ' GLU . 1.6 pt -77.76 -13.55 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -58.6 143.62 45.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.6 t0 80.42 -53.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.606 ' CB ' HD12 ' A' ' 40' ' ' LEU . 5.7 m-20 -68.78 84.52 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.68 70.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.2 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 37' ' ' ASP . 35.5 mt -70.2 -31.2 68.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.2 mt-10 -67.25 -49.38 64.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -28.97 62.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 -44.1 65.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' LEU . 35.3 m-85 -108.42 -67.88 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 48' ' ' VAL . . . 57.22 -84.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -78.52 -28.34 46.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.07 35.18 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.585 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 1.4 t -55.25 -47.97 97.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -74.96 67.73 5.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.5 t -111.95 135.13 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 HD22 ' A' ' 3' ' ' LEU . 1.2 mt -107.54 122.67 47.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.493 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -130.84 143.02 50.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' CG ' ' CD2' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -129.8 171.02 9.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -51.14 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.059 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -117.37 -23.46 7.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -72.88 -12.48 78.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 74.48 -168.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.239 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -113.62 153.7 28.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 68' ' ' LEU . 40.8 tp -123.0 147.04 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -52.44 161.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.605 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -67.43 -51.71 31.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.5 Cg_endo -75.01 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -159.49 175.33 13.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -113.88 -174.07 2.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.64 -49.48 2.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -75.02 -22.65 14.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.67 -33.07 31.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -79.32 -36.65 39.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -71.4 -47.98 52.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.8 67.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 59' ' ' LEU . 78.5 t90 -70.24 -40.62 74.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 107.98 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 69' ' ' ARG . 21.9 mt -59.34 -48.21 82.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 75' ' ' ALA . 36.1 m-20 -68.94 -36.27 77.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -45.97 -25.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' N ' ' C ' ' A' ' 73' ' ' ASP . . . -42.65 150.06 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.75 10.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -92.22 -63.45 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.588 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ptt? . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.492 0.187 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.24 -162.06 0.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' HG1' ' A' ' 4' ' ' THR . 5.3 mt -58.52 178.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.503 ' CG2' HG21 ' A' ' 32' ' ' VAL . 41.5 m -152.78 105.66 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 tp -102.76 105.71 16.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -63.79 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.514 ' HA ' HG12 ' A' ' 48' ' ' VAL . 3.0 pt20 -168.35 153.91 6.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.568 ' HE ' HG21 ' A' ' 48' ' ' VAL . 31.4 ptt85 -137.14 113.83 10.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 8' ' ' ARG . 5.0 t0 78.4 -161.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.58 112.93 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 22.2 p -134.15 -144.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.406 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -109.97 -46.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.585 HD23 ' HG3' ' A' ' 49' ' ' PRO . 9.9 tp -44.82 -38.81 4.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 9.7 t -76.36 -44.93 34.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.87 -52.45 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.97 -31.67 65.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -71.73 -51.01 24.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.5 -36.49 75.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -50.96 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.64 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 51' ' ' LEU . 3.7 mt -62.22 -59.2 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.11 -43.6 74.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.02 -41.06 82.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' ' 69' ' ' ARG . . . -78.55 -10.57 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.67 40.3 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.69 -40.02 62.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.71 -138.1 12.51 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.21 155.94 16.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -157.83 -178.17 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -117.52 145.79 43.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.48 141.86 30.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 4' ' ' THR . 99.6 t -138.24 138.88 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -105.87 128.92 54.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.584 HG12 HG13 ' A' ' 48' ' ' VAL . 1.2 pt -82.77 -0.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -85.66 49.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -167.96 32.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.68 96.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.37 -32.13 10.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.26 86.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.13 -32.3 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' HG2' HD12 ' A' ' 34' ' ' ILE . 3.3 mm-40 -68.04 -45.43 73.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -29.03 62.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.5 63.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 46' ' ' LEU . 15.1 m-85 -112.65 -72.68 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 63.84 -74.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' TYR . 3.7 mm? -93.49 -25.02 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.803 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -92.36 39.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.626 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.5 t -56.41 -44.6 99.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 48' ' ' VAL . 18.2 Cg_endo -75.01 63.59 6.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 47' ' ' ARG . 3.3 t -111.37 138.23 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.84 HD11 HD11 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.18 130.85 54.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 2.3 ptm180 -128.68 154.5 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.598 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -120.14 166.19 15.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -20.28 17.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -61.79 -33.8 74.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.55 36.15 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.46 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 4.9 mtp85 -139.65 167.62 21.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.33 171.09 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD12 ' CE3' ' A' ' 71' ' ' TRP . 0.3 OUTLIER -124.35 144.19 50.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -64.33 134.02 53.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.602 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.3 OUTLIER -42.85 -52.47 11.25 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 107.979 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -75.03 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -144.54 -177.09 5.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.1 m-20 -124.67 -172.64 2.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.06 -50.07 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -74.98 -26.24 11.13 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.802 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -31.01 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.707 HD12 HD13 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -79.33 -40.2 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . 14.2 tpt180 -68.89 -50.41 49.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.43 -31.99 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.71 ' CE3' HD12 ' A' ' 59' ' ' LEU . 69.8 t90 -72.0 -38.37 69.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 107.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 69' ' ' ARG . 57.0 mt -62.22 -53.11 59.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.97 -38.71 86.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -41.2 -35.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' N ' ' HD3' ' A' ' 76' ' ' PRO . . . 39.76 64.31 4.35 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 75' ' ' ALA . 18.5 Cg_endo -74.98 170.84 19.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -137.99 -56.89 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.69 -163.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.31 178.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.504 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 20.2 m -156.13 107.01 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 tp -103.27 105.12 15.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -64.71 134.99 55.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 1.4 pp0? -170.13 141.81 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.5 107.48 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 t0 42.83 91.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -155.62 148.87 24.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -144.86 63.14 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 13' ' ' LEU . 4.8 t-80 -179.57 -76.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.577 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.672 HD23 ' HG3' ' A' ' 49' ' ' PRO . 4.5 tp -63.07 -41.48 99.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.474 ' SG ' ' CB ' ' A' ' 7' ' ' GLN . 41.1 t -75.38 -40.49 57.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -50.42 74.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -60.42 -28.73 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.93 19.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 14' ' ' CYS . 95.9 t -59.99 -35.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -51.09 70.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.45 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 26' ' ' ALA . 1.7 mt -60.18 -56.62 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.97 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.372 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -57.6 -42.39 83.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.17 -9.21 58.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.78 40.06 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -51.79 -56.82 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.73 -139.19 11.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.27 154.46 20.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -161.09 -174.08 4.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -118.52 144.13 46.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.0 139.93 37.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -135.86 138.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -102.68 123.79 47.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.706 HG12 HG22 ' A' ' 48' ' ' VAL . 1.1 pt -77.52 -14.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.0 OUTLIER -57.4 149.59 20.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.1 t0 81.58 -53.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -70.75 102.09 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.158 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.71 -51.44 69.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.54 -38.31 86.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.5 mm-40 -60.48 -45.49 93.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -29.22 64.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.49 -39.76 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' LEU . 47.7 m-85 -110.54 -72.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 64.74 -72.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -93.97 -24.56 17.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.782 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -93.82 39.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.706 HG22 HG12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -56.04 -50.14 89.06 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.672 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -74.99 74.13 4.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.6 t -117.05 130.38 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.885 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.44 114.38 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -112.53 162.78 15.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.608 ' OD1' ' CH2' ' A' ' 71' ' ' TRP . 0.0 OUTLIER -129.12 166.12 27.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.01 18.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.8 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.7 -40.1 91.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.73 39.09 0.55 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.122 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 8.3 mtt180 -140.37 159.27 42.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.71 167.07 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.5 tp -123.59 147.18 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -57.86 144.24 39.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.596 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.6 -58.41 14.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 108.012 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.97 105.89 2.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CD2' ' O ' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -141.73 -171.54 3.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.456 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.0 m-20 -126.64 -172.31 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -77.46 -50.0 2.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.4 Cg_endo -74.98 -21.32 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 -31.96 27.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.885 HD11 HD23 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -79.42 -39.36 32.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.67 ' HA ' HD12 ' A' ' 72' ' ' LEU . 2.9 tpt85 -70.71 -49.64 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -56.47 -30.64 63.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 79.3 t90 -74.43 -37.92 63.17 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 69' ' ' ARG . 7.2 mt -63.03 -46.14 88.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.94 -6.94 53.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 70' ' ' ALA . . . -91.85 -18.9 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -50.46 -52.97 50.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -75.0 178.83 6.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 64.59 11.9 7.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.586 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.465 0.174 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.5 172.23 14.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' ' 52' ' ' ARG . 1.2 mt -88.56 -178.04 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 91.4 m -156.13 113.73 3.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.57 120.81 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.54 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 39.5 m-85 -80.52 135.63 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.633 ' NE2' ' CE2' ' A' ' 33' ' ' PHE . 29.6 pt20 -127.93 169.64 13.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.743 ' HB3' HG21 ' A' ' 48' ' ' VAL . 24.2 ptt180 -122.15 -178.73 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -58.4 -52.31 66.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -66.23 -170.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.1 p -161.51 123.61 2.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -178.6 -57.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.83 HD23 ' HG3' ' A' ' 49' ' ' PRO . 13.2 tp -75.99 -35.85 59.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.8 m -69.5 -27.25 65.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.253 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -61.88 -57.46 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -61.72 -23.27 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 -50.24 26.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' CYS . 97.0 t -57.28 -36.97 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.85 -51.02 71.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.96 -41.14 74.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.665 HD23 ' CB ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -59.15 -58.18 9.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.68 -45.45 77.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -57.38 -43.19 83.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 65' ' ' ALA . . . -77.54 -1.02 28.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 50.0 39.95 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.665 ' CB ' HD23 ' A' ' 21' ' ' LEU . . . -51.08 -59.99 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 138.13 -141.85 12.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.88 155.27 17.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.755 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -163.6 179.18 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -113.97 137.59 51.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 7' ' ' GLN . 2.1 m -104.22 133.82 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.0 125.06 72.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 7' ' ' GLN . 78.6 m-85 -84.4 125.82 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 41' ' ' GLU . 3.5 pt -79.85 -15.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 22.7 t0 -53.98 140.59 30.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.2 t0 82.14 -53.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.55 99.02 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -30.57 70.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.07 76.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.4 mt -69.33 -32.84 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.7 mm-40 -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.11 -28.55 62.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -43.15 66.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CZ ' ' CE2' ' A' ' 6' ' ' TYR . 41.6 m-85 -114.31 -66.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 59.59 -83.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' TYR . 1.8 mm? -82.62 -26.65 32.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.561 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.62 35.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -57.07 -49.36 94.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.83 ' HG3' HD23 ' A' ' 13' ' ' LEU . 18.3 Cg_endo -74.98 74.12 4.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 47' ' ' ARG . 6.3 t -122.5 125.12 72.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.933 HD23 HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -94.84 114.78 26.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.693 ' O ' HD23 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -115.16 163.94 14.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.5 169.63 9.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -26.97 10.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.547 1.814 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -50.25 71.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.97 45.24 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -136.77 159.81 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 1.1 pp20? -138.97 163.58 31.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.89 HD23 HD12 ' A' ' 68' ' ' LEU . 17.9 tp -127.5 146.71 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.4 OUTLIER -58.27 151.1 20.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.717 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.15 -54.39 50.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.051 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.3 Cg_endo -74.99 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.523 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -150.6 -171.05 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.485 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 m-20 -134.56 177.58 7.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -68.88 -49.6 26.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.1 Cg_endo -74.99 -24.44 12.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -32.86 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.933 HD11 HD23 ' A' ' 51' ' ' LEU . 1.1 tp -79.32 -35.97 40.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -71.16 -49.31 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.6 -30.28 54.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.574 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 63.6 t90 -73.15 -43.65 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 3' ' ' LEU . 30.7 mt -58.58 -51.12 71.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -50.75 -37.36 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 71' ' ' TRP . . . -56.44 -22.82 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 76' ' ' PRO . . . -118.82 166.5 13.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo -74.97 -172.02 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 76' ' ' PRO . 0.1 OUTLIER 38.47 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.645 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.514 0.197 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.668 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -165.12 179.86 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 53' ' ' ASP . 28.7 mt -64.58 178.22 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 7.8 m -155.78 105.76 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tp -110.77 111.69 23.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -70.92 136.15 48.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' HG13 ' A' ' 48' ' ' VAL . 13.8 pt20 -164.61 142.79 6.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -87.21 -176.76 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.75 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 t70 62.24 149.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 176.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 108.276 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -101.75 -44.64 5.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.589 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 61' ' ' TRP . 12.3 tp -60.43 -38.74 85.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 14.1 p -74.98 -37.9 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -54.31 -54.87 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.75 -22.94 59.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 14' ' ' CYS . . . -75.59 -50.2 16.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.29 -35.93 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.9 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.45 79.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -64.0 -57.74 8.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.97 -44.16 74.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -56.96 -43.77 81.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -11.68 60.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.54 39.96 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -49.34 -49.26 45.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.51 -139.64 11.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.76 154.97 17.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -162.17 -177.53 5.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CE2' ' HB3' ' A' ' 2' ' ' ALA . 23.3 m-85 -108.83 132.94 53.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -101.43 132.46 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.56 136.27 58.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -96.46 120.76 37.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 41' ' ' GLU . 1.3 pt -78.21 -20.96 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.3 p30 -51.1 145.79 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.5 t0 81.93 -53.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.44 91.07 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.67 -33.46 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -47.53 83.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.0 mt -70.18 -33.29 71.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' GLY . 4.0 mm-40 -65.71 -46.25 79.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.58 -29.02 63.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.83 -43.19 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.082 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' LEU . 29.1 m-85 -108.05 -69.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' GLU . . . 60.01 -81.33 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -83.0 -29.17 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -90.18 36.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.9 OUTLIER -56.52 -49.34 94.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HB2' ' CE3' ' A' ' 61' ' ' TRP . 18.2 Cg_endo -75.03 70.93 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 47' ' ' ARG . 9.9 t -117.18 134.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.702 HD11 HD11 ' A' ' 21' ' ' LEU . 1.6 mt -105.8 135.2 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' CG ' ' HB ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -137.44 141.74 41.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' OD2' ' CH2' ' A' ' 71' ' ' TRP . 0.2 OUTLIER -126.68 161.1 55.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.49 19.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.4 mtm -141.59 -43.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' O ' ' CB ' ' A' ' 57' ' ' ARG . . . -61.64 -14.9 45.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.1 OUTLIER 77.83 -166.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.294 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -111.53 143.64 42.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD13 ' CD1' ' A' ' 71' ' ' TRP . 20.3 tp -112.64 147.33 36.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -50.17 159.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.6 ' O ' ' CE3' ' A' ' 61' ' ' TRP . 0.0 OUTLIER -64.58 -53.0 48.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 61' ' ' TRP . 18.1 Cg_endo -74.98 119.92 5.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.59 ' CZ ' ' O ' ' A' ' 61' ' ' TRP . 0.1 OUTLIER -159.25 171.6 19.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.469 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 6.4 m-20 -111.75 -174.03 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.69 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . . . -76.73 -49.43 2.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 65' ' ' ALA . 18.3 Cg_endo -75.02 -22.11 15.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -33.09 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -79.42 -39.44 32.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -68.98 -50.14 51.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -55.87 -30.89 62.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.883 ' CD1' HD13 ' A' ' 59' ' ' LEU . 83.2 t90 -75.33 -34.42 61.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -5.96 54.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' ALA . . . -86.74 -22.58 25.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.875 ' HB3' ' HD3' ' A' ' 76' ' ' PRO . . . -39.79 -55.65 3.52 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.95 171.34 18.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -119.98 110.27 16.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.636 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.953 . . . . . . . . 0 0 . 1 stop_ save_