data_2ed9_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 2ed9 _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 ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.621 0.724 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.68 41.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -125.83 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.18 141.06 1.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 111.057 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.98 22.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.0 11.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -120.29 168.77 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CG ' HD13 ' A' ' 50' ' ' LEU . 4.2 m120 54.89 42.28 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 117' ' ' TYR . 95.6 t -96.68 93.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -131.39 169.99 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.31 149.09 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.98 110.65 4.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -79.19 112.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -84.73 -44.86 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.04 -179.91 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -67.16 -38.3 85.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -119.25 34.85 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -152.53 133.02 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 46' ' ' LYS . 78.6 mt -146.13 133.42 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' CA ' HD11 ' A' ' 88' ' ' LEU . 28.0 tttt -105.48 123.5 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -108.08 122.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 p -109.3 166.26 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CH2' HD11 ' A' ' 66' ' ' ILE . 34.0 p90 -174.61 171.1 3.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD13 ' CG ' ' A' ' 34' ' ' ASN . 47.9 mt -144.28 156.64 57.5 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.01 36.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.45 63.33 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.1 p -75.47 58.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.04 -36.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -87.8 -51.58 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.59 132.31 46.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -95.22 -50.69 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.46 146.7 23.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ILE . 13.8 p90 -61.69 105.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' PHE . 22.5 mm -35.38 121.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.3 p -95.88 -46.4 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -153.02 -159.88 9.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 11.5 m-85 -147.97 144.02 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -98.99 141.54 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 HD11 ' CH2' ' A' ' 49' ' ' TRP . 15.7 mt -131.37 127.55 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -128.85 114.17 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 25.3 p80 -102.9 148.54 25.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 56.1 mtp180 -125.0 147.92 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' HG2' ' CE2' ' A' ' 98' ' ' TYR . 1.2 tmtp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.557 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 51.1 mtp . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -99.52 146.78 26.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 m -160.87 148.69 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.91 146.06 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -134.15 101.58 12.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -22.24 32.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -48.01 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -126.4 -179.72 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.616 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.9 mt -98.2 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -155.24 140.33 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.4 120.23 15.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 46' ' ' LYS . 5.4 tp -96.58 119.71 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.65 114.09 27.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 p -117.72 140.48 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.82 10.42 6.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 17.8 mt -75.34 -175.54 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -112.9 -178.87 3.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -94.52 161.93 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.38 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -119.01 179.64 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -137.45 126.8 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 60.0 m-85 -129.04 146.07 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -125.32 149.6 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -134.61 174.08 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.48 ' OE1' ' CZ2' ' A' ' 116' ' ' TRP . 7.3 pt20 -163.94 134.11 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.4 141.4 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -136.44 129.25 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.42 133.76 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 22.1 mtm -115.75 126.56 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -110.24 -178.05 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -64.15 -22.89 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.52 -63.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.58 -159.07 11.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -85.13 141.8 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.26 176.89 40.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.62 26.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.33 14.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.9 p -111.48 -179.25 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -47.38 147.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.561 ' CH2' ' HD2' ' A' ' 69' ' ' ARG . 46.2 m95 -82.1 91.83 6.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.431 ' CE1' HG11 ' A' ' 35' ' ' VAL . 77.0 m-85 -76.38 126.82 31.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 m -108.89 150.73 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.1 140.88 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.3 145.93 37.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.0 p -86.0 148.69 48.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 123' ' ' GLU . 53.8 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.3 mt-10 -35.66 -43.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.629 0.728 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.74 158.34 57.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -109.5 8.95 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.08 139.4 15.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 111.079 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -132.18 162.64 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 59.15 50.94 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 117' ' ' TYR . 26.2 t -96.76 93.32 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -149.43 163.8 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 100' ' ' PHE . 15.3 mt -107.14 153.8 22.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -135.89 120.48 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.32 95.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.57 -35.88 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -159.23 -175.18 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -73.94 -20.07 60.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 4.7 ptp180 -130.82 25.11 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -149.19 131.59 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.2 mt -138.52 122.56 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 16.7 tptm -90.33 143.77 26.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.33 140.51 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 p -139.85 171.64 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.497 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 42.1 p90 -167.23 173.27 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -144.07 158.48 55.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.361 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.94 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.38 67.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.2 p -51.2 165.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.32 -59.31 4.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.6 p -64.39 -30.42 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -53.32 116.4 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.01 -26.59 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.6 151.72 22.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -53.58 116.22 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.424 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 mp -57.88 102.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -66.62 -33.9 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.89 -152.25 7.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.481 ' CE2' HD21 ' A' ' 85' ' ' LEU . 89.4 m-85 -150.12 156.6 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -126.28 128.41 47.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.1 mt -110.1 118.23 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -103.97 123.52 47.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -139.05 143.76 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -156.72 149.13 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.2 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 37.7 ttp . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.717 0.294 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.2 146.33 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 m -156.78 132.23 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.34 141.9 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' CD ' ' HB2' ' A' ' 83' ' ' ASN . 3.8 tp10 -134.87 101.57 11.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -32.04 19.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.414 ' HB2' ' CD ' ' A' ' 81' ' ' GLU . 11.3 m-80 -44.02 -69.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -120.78 168.61 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -92.28 28.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.43 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 49.5 p-90 -145.65 139.0 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -137.37 122.61 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.04 136.84 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.78 128.68 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.0 p -123.46 155.79 36.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.25 36.58 5.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.46 164.15 12.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 163.32 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -86.31 157.72 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.38 51.41 6.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -130.68 166.56 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.31 151.27 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -152.55 158.73 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 m -130.53 158.54 39.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.429 ' CD1' HD22 ' A' ' 37' ' ' LEU . 82.8 m-85 -148.83 168.85 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.574 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 18.0 tt0 -163.62 160.08 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.406 HG21 ' C ' ' A' ' 101' ' ' GLN . 20.0 t -138.63 134.57 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -133.1 121.45 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.08 116.51 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.5 mtm -87.64 131.92 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 p -119.19 -177.34 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.93 -14.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.55 -65.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.73 -163.78 23.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 p -68.53 152.4 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.416 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.66 -162.25 34.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.24 39.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 112.48 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.749 2.3 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.1 p -73.62 158.68 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -41.33 131.84 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 49.7 m95 -74.4 104.45 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.421 ' CE1' HG13 ' A' ' 35' ' ' VAL . 86.6 m-85 -85.76 158.23 20.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.8 m -137.83 150.77 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.38 143.35 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -109.79 140.41 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.7 p -84.91 143.68 40.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.49 -37.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HG2' ' CD ' ' A' ' 112' ' ' PRO . 54.1 Cg_endo -69.71 167.56 24.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -121.78 -23.33 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.46 140.51 21.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 178.78 4.27 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -118.49 167.99 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 50' ' ' LEU . 11.9 m-80 48.7 53.76 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 117' ' ' TYR . 68.6 t -98.08 88.25 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -128.76 166.38 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -132.55 124.12 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -113.85 129.27 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.62 99.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.14 -48.8 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -142.98 -176.43 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 t -74.18 -15.08 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -126.9 -3.84 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -122.77 149.07 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mt -147.09 132.68 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -95.05 124.77 39.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.45 128.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -136.76 164.29 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.639 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 46.2 p90 -163.1 -178.62 6.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' ND2' ' A' ' 34' ' ' ASN . 30.3 mt -153.72 156.07 31.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.59 45.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.96 17.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.77 46.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.7 m -51.16 130.1 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.41 -39.33 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 p -76.6 -42.11 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.44 148.0 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.88 -31.76 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' PHE . . . -112.32 120.06 5.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . 23.6 p90 -36.15 118.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 mp -59.22 102.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.2 p -68.04 -45.02 75.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.83 -160.0 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.639 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.0 m-85 -142.08 137.81 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.933 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -95.51 125.12 39.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 mt -116.88 107.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -109.89 131.2 55.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -130.46 153.41 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -148.93 148.65 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -145.28 113.64 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 87' ' ' TYR . 7.6 m -123.71 136.91 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.27 128.3 25.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.78 101.55 15.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.726 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -39.76 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -118.68 155.9 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mt -83.8 36.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -157.74 146.97 19.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.446 ' CE2' HG23 ' A' ' 79' ' ' THR . 1.9 t80 -135.1 110.07 8.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.08 115.43 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -98.96 144.26 28.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.8 p -141.49 159.79 41.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.27 50.35 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.95 161.56 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.03 135.39 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -74.13 148.12 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.36 61.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -123.59 151.12 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -88.9 155.61 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -156.16 164.16 38.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.4 m -131.96 158.48 41.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -144.49 168.77 19.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.431 ' OE1' ' NE1' ' A' ' 116' ' ' TRP . 23.2 tt0 -156.62 140.7 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.49 HG11 ' CG ' ' A' ' 49' ' ' TRP . 58.4 t -127.82 133.04 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -135.99 148.7 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.96 111.32 23.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.4 mtm -86.57 127.35 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -108.36 -176.41 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.26 -16.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.96 -69.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.4 -155.46 7.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.2 m -84.81 125.62 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -66.03 -167.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.464 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 53.5 Cg_endo -69.74 132.76 24.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.99 2.69 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t -53.64 149.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.6 m120 -42.91 126.64 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.431 ' NE1' ' OE1' ' A' ' 101' ' ' GLN . 50.5 m95 -62.11 103.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 35' ' ' VAL . 78.5 m-85 -84.32 163.98 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.6 m -132.23 124.88 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -116.47 133.12 56.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.72 136.85 47.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.8 p -88.31 143.63 32.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' GLU . 53.8 Cg_endo -69.72 110.22 2.49 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.1 mt-10 -35.92 -41.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.578 0.704 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 54.1 Cg_endo -69.67 164.45 34.42 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 t -125.83 27.16 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.45 142.83 13.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 169.81 18.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -163.99 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.755 2.303 . . . . 0.0 112.379 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -133.88 160.91 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 54.96 48.67 19.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.548 HG13 ' CE1' ' A' ' 117' ' ' TYR . 89.8 t -91.22 85.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.79 165.13 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 mt -125.8 129.06 48.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -110.99 130.98 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.73 108.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 10.6 t -79.91 -42.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 61.2 m-20 -167.06 -178.5 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -58.14 -29.46 65.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -129.09 35.32 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -153.85 139.49 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.41 ' C ' HG22 ' A' ' 40' ' ' VAL . 96.9 mt -143.75 127.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -90.52 122.82 33.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 60.4 t -108.16 131.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -127.36 159.6 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 23.8 p90 -168.4 158.86 10.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.81 157.8 76.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 154.99 67.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.38 21.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.25 42.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -46.57 -45.19 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.56 -62.84 2.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -65.08 -41.41 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -45.47 123.05 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.69 -24.16 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.54 167.89 19.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -76.07 120.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.56 142.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -120.22 -41.52 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.419 ' C ' ' HE2' ' A' ' 105' ' ' MET . . . -170.78 -169.89 34.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.1 m-85 -130.86 145.79 52.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -102.17 121.76 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 HD12 ' CH2' ' A' ' 49' ' ' TRP . 7.1 mt -113.86 111.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -119.38 138.79 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 77' ' ' MET . 9.8 p-80 -125.79 160.29 30.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.822 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.33 156.29 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 23.0 tptp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.404 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 46.3 tpp . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -97.02 152.3 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -160.13 127.91 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -112.94 146.12 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -134.18 101.54 12.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -24.03 30.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -48.24 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.53 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 45.1 m-80 -124.72 -177.15 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 15.7 mt -95.39 17.86 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.53 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.5 p-90 -133.04 157.9 44.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -98.42 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -90.65 148.27 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.3 p -146.1 137.36 24.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.68 28.08 4.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 177.07 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.317 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.67 147.93 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -82.29 151.29 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.59 66.15 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -154.99 171.39 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.19 134.13 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 30.7 m-85 -131.03 156.02 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 1.5 t -127.39 151.21 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 99' ' ' SER . 6.8 m-85 -141.47 168.41 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.608 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 6.4 tt0 -155.3 135.15 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.423 HG11 ' CD2' ' A' ' 49' ' ' TRP . 25.3 t -121.05 131.68 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 168.72 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.88 112.63 18.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 63' ' ' GLY . 3.1 mpp? -95.61 140.87 29.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 p -115.96 179.93 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.16 -16.7 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -91.96 -69.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.25 -170.11 21.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -79.72 138.45 37.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -79.99 -176.64 49.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 146.41 59.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.74 46.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -89.97 155.17 19.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -38.37 141.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.608 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 69.1 m95 -81.76 95.24 7.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.548 ' CE1' HG13 ' A' ' 35' ' ' VAL . 70.2 m-85 -78.92 125.43 29.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -103.0 128.78 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.5 142.61 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -107.0 151.84 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.6 p -102.39 144.07 27.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 133.23 25.15 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.92 -29.52 60.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.681 0.753 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.435 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.76 146.28 59.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -115.09 -29.46 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.41 120.71 76.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 165.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.7 20.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.1 174.99 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 t30 51.45 38.41 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -87.76 87.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 m -137.25 162.95 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 136.24 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -121.39 144.6 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -103.38 127.07 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.56 -36.98 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -144.11 -178.95 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 m -76.44 -20.48 57.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.05 3.67 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.93 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -138.24 131.66 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -98.42 147.98 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.13 126.72 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 p -121.14 162.41 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.441 ' CH2' ' CD1' ' A' ' 66' ' ' ILE . 45.6 p90 -161.02 157.81 26.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -131.58 155.39 81.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.14 64.29 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.49 34.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.44 66.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -56.02 168.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.75 -46.24 3.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -85.94 -26.17 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -55.52 124.73 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -113.26 57.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.12 176.65 14.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -92.88 102.98 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mp -54.1 106.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.2 p -87.54 -50.02 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 -153.71 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.665 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.0 m-85 -152.39 147.25 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -108.08 110.76 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.441 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 13.5 mt -98.92 106.32 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -98.36 125.77 43.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -136.52 171.0 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -170.91 163.73 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.747 0.308 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -146.1 161.62 39.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.4 m -156.25 152.85 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -129.19 140.49 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -134.68 101.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.3 Cg_endo -69.78 -29.35 23.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 12.5 m-80 -36.61 -64.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -146.96 174.4 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 9.0 mt -84.46 35.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -149.84 140.45 22.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -137.14 119.87 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 1.2 tm? -94.79 103.28 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -82.14 147.23 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 p -144.27 152.29 40.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.38 47.41 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 138.94 43.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.97 146.08 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.58 148.39 42.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.27 72.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 m -158.83 155.14 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -86.86 140.54 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -139.57 131.62 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -104.99 155.67 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -145.44 175.49 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -169.11 165.4 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.439 HG12 ' CG ' ' A' ' 49' ' ' TRP . 43.0 t -149.39 135.43 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 t -135.83 142.47 44.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.73 111.77 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.1 mtm -89.18 133.66 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.8 p -114.81 165.46 12.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.1 p -49.46 -18.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -90.72 -75.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.86 -162.45 10.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.2 m -95.86 141.14 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.77 -165.68 39.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.47 65.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 126.82 13.77 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.4 t -69.6 154.2 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.3 m120 -37.48 130.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -73.34 108.22 6.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 92.1 m-85 -96.38 158.72 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 119' ' ' ALA . 53.2 m -137.89 140.43 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.44 ' N ' HG23 ' A' ' 118' ' ' THR . . . -129.75 142.74 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -105.52 128.13 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.3 p -78.93 140.04 57.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.133 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' GLU . 54.4 Cg_endo -69.71 109.67 2.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 122' ' ' PRO . 24.1 mm-40 -36.36 -40.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.609 0.719 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.82 55.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -125.1 34.31 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.25 139.3 17.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.84 40.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HG2' ' CG2' ' A' ' 35' ' ' VAL . 53.5 Cg_endo -69.79 179.34 3.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -122.69 158.85 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 57.63 40.23 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 32' ' ' PRO . 77.0 t -84.19 99.92 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.9 t -139.24 158.31 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.52 131.95 54.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -108.6 161.97 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -112.92 95.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 44.3 t -68.77 -47.46 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 60.9 m-80 -160.88 -175.49 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -66.14 -39.28 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -113.97 29.15 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -150.85 145.83 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -149.54 142.25 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.19 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -108.48 128.96 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.2 126.67 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.8 p -128.54 172.94 10.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CH2' HD12 ' A' ' 66' ' ' ILE . 46.2 p90 -168.86 155.15 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.82 158.81 44.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 149.45 66.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.51 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -38.98 -53.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.05 -72.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 p -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.1 96.68 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -114.44 33.16 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.36 148.74 18.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -69.81 109.13 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.483 HG23 ' CZ ' ' A' ' 64' ' ' TYR . 64.2 mt -70.41 119.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.9 p -92.45 -39.18 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.6 -159.34 9.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 63' ' ' GLY . 32.4 m-85 -148.81 145.09 27.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -99.62 151.12 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 HD12 ' CH2' ' A' ' 49' ' ' TRP . 10.8 mt -134.54 109.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -99.87 121.58 41.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 68' ' ' HIS . 6.0 p-80 -122.33 127.83 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -137.69 151.97 48.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 tttm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.769 0.318 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.56 138.6 31.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.1 m -159.78 113.77 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' CD1' ' HD3' ' A' ' 82' ' ' PRO . 3.7 pp -118.16 137.97 52.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.9 101.61 51.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD3' ' CD1' ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.77 -30.08 22.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -43.36 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 53.5 m-80 -141.87 -178.98 5.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.483 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 mt -91.69 43.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.6 p-90 -154.39 146.73 23.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.717 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 2.9 t80 -140.1 122.11 15.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 90' ' ' THR . 1.6 tm? -101.32 107.74 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.717 ' CE1' ' CD1' ' A' ' 87' ' ' TYR . 86.9 m-85 -89.68 150.73 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 88' ' ' LEU . 22.8 p -152.4 148.9 28.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 20.65 8.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.2 173.71 9.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -109.98 153.93 23.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.54 166.23 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 41.12 70.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 p -153.03 179.93 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.49 120.02 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -120.6 138.82 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.2 m -106.05 160.55 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -147.82 173.6 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -162.56 140.48 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 103' ' ' SER . 42.5 t -127.56 138.2 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 102' ' ' VAL . 8.0 t -145.13 134.67 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -77.11 124.83 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.2 mtm -102.38 144.72 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -127.57 167.58 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.22 -15.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -88.53 -60.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.49 -150.34 6.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.96 128.52 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.98 -171.24 19.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.4 57.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 128.11 15.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 p -61.0 178.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -54.81 142.09 30.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -79.25 92.67 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.404 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 91.2 m-85 -80.72 163.17 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.021 0.439 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 49.1 m -145.66 140.6 27.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.57 131.41 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.73 125.66 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.3 p -63.98 143.89 98.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.81 2.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -37.32 -41.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.5 Cg_endo -69.76 139.81 41.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -113.67 43.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.8 4.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 143.49 50.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -95.72 160.8 14.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.81 54.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.524 HG12 ' CE1' ' A' ' 117' ' ' TYR . 90.3 t -105.73 82.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -124.09 156.25 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.82 135.25 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.63 98.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.75 -50.07 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -155.43 -175.22 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -65.04 -34.61 78.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -119.23 31.63 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -154.97 139.21 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.56 125.37 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -91.2 132.1 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.51 118.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 t -123.27 169.0 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 86' ' ' TRP . 40.9 p90 -164.43 164.01 22.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.4 mt -129.53 156.22 78.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 160.53 49.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.53 27.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.38 12.76 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 p -68.49 147.73 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.08 -63.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -59.81 -24.22 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.727 0.299 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.56 121.43 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -110.39 -50.95 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.66 158.69 14.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -70.73 105.25 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mt -50.61 120.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -101.41 -6.81 23.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.05 -165.4 38.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 46.0 m-85 -144.4 139.78 28.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -89.18 130.98 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.52 104.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtt-85 -101.03 121.09 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -113.6 118.32 34.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.1 ttt-85 -119.09 148.8 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 74.1 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.714 0.292 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.86 165.84 24.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 m -160.75 113.95 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 11.2 mt -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tp10 -133.68 101.65 12.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -21.62 33.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.412 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 81' ' ' GLU . 27.8 m120 -44.54 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -147.73 -177.94 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 3.8 mt -83.72 34.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 42.1 p-90 -147.02 143.58 28.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.76 117.62 14.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -96.01 107.22 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -88.89 145.79 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 p -142.33 160.45 40.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.08 48.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.82 150.65 27.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.28 135.83 38.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -70.39 150.08 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.02 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -150.85 163.28 39.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' A' ' 118' ' ' THR . 31.7 tt0 -110.0 133.35 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -133.96 145.48 49.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.595 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 3.8 m -114.24 159.43 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 99' ' ' SER . 15.1 m-85 -154.34 155.01 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -149.89 122.86 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 103' ' ' SER . 93.0 t -97.9 144.06 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 102' ' ' VAL . 77.5 p -151.44 138.13 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -88.47 118.04 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.0 mtm -98.15 144.94 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.0 p -125.98 177.98 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.26 -13.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -93.11 -68.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -161.08 -150.15 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -109.31 125.31 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.133 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.455 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.15 -164.86 0.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.3 44.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.27 32.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.3 p -81.04 157.06 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 11.8 m120 -43.09 135.65 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -76.16 94.17 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 49.3 m-85 -85.42 150.29 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 119' ' ' ALA . 87.0 m -128.05 146.6 50.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.412 ' N ' HG21 ' A' ' 118' ' ' THR . . . -137.63 130.32 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -102.24 135.8 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -84.3 142.48 40.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.538 0.685 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.3 -39.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.1 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.218 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 m -90.72 11.4 22.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.93 140.29 37.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.42 18.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -133.18 149.9 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 68.04 50.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 117' ' ' TYR . 59.9 t -96.84 91.15 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.7 t -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 100' ' ' PHE . 26.4 mt -120.09 128.84 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -112.56 127.43 56.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 122' ' ' PRO . 47.3 t -85.37 111.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 85.6 t -91.82 -36.29 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 81.2 m-20 -162.88 176.55 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.4 p -72.04 -11.6 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -130.94 0.49 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -131.34 150.36 52.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.7 mt -153.08 136.21 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -97.54 135.69 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.1 117.99 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 p -117.66 166.27 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 49.1 p90 -168.88 147.89 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.4 mm? -114.12 157.36 42.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.59 56.47 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 131.04 20.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' PRO . 13.1 m -37.74 -33.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.53 -79.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.2 p -57.97 -25.47 61.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.8 tt0 -36.36 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -56.37 -43.83 79.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.63 -170.9 25.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.62 96.66 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.512 HG23 ' CE1' ' A' ' 64' ' ' TYR . 3.6 mp -42.35 112.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -84.17 -46.99 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.29 179.89 26.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 39.4 m-85 -127.65 146.25 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -107.23 123.88 48.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.21 107.32 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -106.75 120.32 41.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -121.12 125.35 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -115.03 169.27 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 13.9 tptm . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.71 0.291 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.5 pp20? -93.43 153.25 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.1 m -157.78 133.88 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 pp -127.04 137.5 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -133.1 101.56 13.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.682 0.753 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.6 31.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -54.72 -60.67 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -140.6 -179.86 6.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.79 24.2 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -136.96 143.77 43.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.431 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 1.5 t80 -141.19 114.03 8.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tp -92.83 132.71 36.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 26.6 m-85 -114.79 118.05 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.4 p -117.68 152.18 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 43.03 3.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -105.88 169.58 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.85 143.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -79.47 141.16 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.24 41.01 80.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 168.6 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.408 ' CG ' ' CG2' ' A' ' 118' ' ' THR . 22.6 tt0 -103.92 154.26 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.491 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 90.4 m-85 -154.35 132.84 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -111.17 148.29 33.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CD1' HD22 ' A' ' 37' ' ' LEU . 87.8 m-85 -134.75 158.02 45.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 114' ' ' SER . 1.5 tp-100 -146.87 141.99 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.519 HG13 ' CG ' ' A' ' 49' ' ' TRP . 15.7 t -129.33 128.69 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -133.21 133.02 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.77 117.82 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.2 mtm -100.65 149.87 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.6 p -126.05 -177.88 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.21 -5.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -104.0 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.38 -149.05 4.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -125.29 147.09 49.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.33 179.09 53.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.44 57.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.7 7.43 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.486 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 1.0 OUTLIER -63.77 178.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 17.5 m-20 -56.64 131.1 47.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -65.67 118.62 9.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 80.6 m-85 -102.16 136.3 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' CG ' ' A' ' 97' ' ' GLN . 21.2 m -121.16 140.26 52.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.29 131.84 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.92 148.88 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.1 p -96.47 145.85 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD3' ' CG1' ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.79 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -44.11 -36.69 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 175.76 7.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -133.42 21.87 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.84 140.5 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.47 18.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.36 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.22 157.42 34.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 61.09 48.28 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.48 89.77 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -142.44 155.79 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 119' ' ' ALA . 83.1 mt -101.61 138.95 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -128.1 106.36 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.15 125.82 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 36.0 t -107.89 -40.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.7 OUTLIER -141.49 163.56 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -63.67 -16.73 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -129.22 16.86 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -144.59 138.07 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.4 mt -145.22 140.07 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -106.59 139.44 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.39 117.24 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -114.37 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.588 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 48.2 p90 -170.97 178.92 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.5 mt -150.03 157.31 37.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.65 68.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.37 19.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.77 124.8 11.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' PRO . 47.8 m -35.37 140.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.36 -40.28 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.8 p -89.76 -23.8 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -94.33 56.6 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -59.26 -12.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' PHE . . . -109.82 122.53 6.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLY . 11.9 t80 -36.3 136.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -79.31 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -110.01 -41.43 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -177.8 -154.49 12.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 15.8 m-85 -143.82 136.79 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.908 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -93.64 118.92 32.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.568 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 16.9 mt -108.14 109.84 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -105.1 114.6 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.547 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 14.1 p-80 -115.25 147.75 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -169.12 163.26 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' CE ' ' CE1' ' A' ' 98' ' ' TYR . 24.4 ttmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.546 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.9 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.67 134.06 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.495 HG21 ' CE2' ' A' ' 87' ' ' TYR . 30.9 m -159.43 109.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -115.78 141.49 48.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -126.13 113.28 23.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.1 Cg_endo -69.76 -38.97 7.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' PRO . 67.3 m-80 -36.41 -66.4 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -135.27 -177.26 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.539 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.9 mt -97.23 17.65 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -127.26 143.81 51.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.495 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.6 t80 -138.89 116.72 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -93.54 107.36 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.962 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' N ' HD11 ' A' ' 88' ' ' LEU . 97.2 m-85 -84.8 148.51 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -145.82 135.13 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.99 32.12 1.93 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.2 mt -96.48 -179.62 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -99.7 173.57 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -99.83 163.33 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 35.5 58.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -139.81 173.53 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -115.63 134.25 55.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.584 ' CE1' ' CE ' ' A' ' 70' ' ' LYS . 7.5 m-85 -130.44 164.92 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 24.7 m -138.7 157.98 45.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 99' ' ' SER . 34.3 m-85 -152.53 176.6 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' CD1' ' A' ' 116' ' ' TRP . 21.0 tt0 -165.22 141.09 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.33 132.8 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -134.45 131.86 38.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.78 119.02 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.3 mtm -94.76 132.72 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 p -107.43 -175.93 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.84 -10.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -99.57 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.53 -156.57 8.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 m -87.43 127.66 35.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.76 -160.59 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.56 25.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.428 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 79.5 p -65.97 179.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -62.24 135.96 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.583 ' CD1' ' NE2' ' A' ' 101' ' ' GLN . 48.9 m95 -73.36 95.35 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -75.98 145.42 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.7 m -119.79 135.43 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.455 ' CB ' HD12 ' A' ' 37' ' ' LEU . . . -125.31 131.79 52.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -104.39 120.33 40.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.8 p -70.16 143.9 91.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.524 0.678 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -49.23 -29.82 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.8 157.13 61.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 8.79 11.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.98 132.43 24.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 168.63 20.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.24 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.7 172.47 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.47 ' CB ' HD13 ' A' ' 50' ' ' LEU . 42.9 t30 50.44 37.2 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 117' ' ' TYR . 98.9 t -83.88 90.74 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -135.98 168.03 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD2' HG22 ' A' ' 47' ' ' VAL . 19.6 mt -123.82 147.18 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.87 106.76 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.35 109.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.76 -45.91 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -147.87 -178.93 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -78.61 -13.56 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -129.05 4.48 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -139.24 133.15 30.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.8 mt -137.6 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -97.74 136.41 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG22 ' CD2' ' A' ' 37' ' ' LEU . 53.8 t -130.6 118.64 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -120.31 163.65 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 48.6 p90 -157.29 -178.87 7.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 34' ' ' ASN . 35.0 mt -149.52 157.57 38.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 160.67 48.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -53.66 165.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . . . 77.01 -80.9 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' GLY . 10.2 p -35.82 -36.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.4 114.78 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.87 -50.11 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.08 171.69 15.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -80.75 107.93 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 77.7 mt -57.03 128.37 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -106.96 -43.48 4.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -151.0 -148.88 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 63' ' ' GLY . 53.6 m-85 -153.74 165.67 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -125.39 130.28 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.8 112.54 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -101.61 112.33 24.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -123.89 136.61 54.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -146.24 147.79 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 18.3 tptp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.2 tpt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.741 0.305 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.2 pp20? -112.5 152.34 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -157.7 118.3 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.99 137.43 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.2 tt0 -132.72 101.6 14.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.4 Cg_endo -69.78 -21.41 33.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -44.84 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -128.48 171.55 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 23.9 mt -84.01 16.51 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -141.76 154.68 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.473 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.2 t80 -134.12 120.09 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -97.41 108.09 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.6 m-85 -90.5 145.56 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p -137.62 138.77 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.94 50.37 2.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.0 mt -106.1 161.24 14.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.756 0.312 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.0 142.44 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -77.72 156.71 30.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.91 59.62 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 m -142.07 161.69 37.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -90.43 142.22 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.6 m-85 -148.09 121.88 9.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -105.38 135.75 46.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -125.24 147.13 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.639 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 17.3 tt0 -139.32 141.32 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 103' ' ' SER . 46.6 t -123.71 145.18 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.447 ' N ' HG11 ' A' ' 102' ' ' VAL . 4.8 p -144.29 138.03 27.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.26 132.72 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.3 mtm -109.82 131.29 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.6 p -116.05 158.44 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -39.45 -30.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.03 -74.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.61 -130.15 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -122.23 119.47 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.456 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.95 165.2 34.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.409 ' CB ' ' OE1' ' A' ' 101' ' ' GLN . 54.2 Cg_endo -69.72 -175.18 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.6 p -120.27 172.97 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 8.1 m-20 -41.56 135.84 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.639 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 62.8 m95 -67.03 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 35' ' ' VAL . 94.8 m-85 -79.32 141.37 37.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -126.44 146.01 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.37 131.75 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -95.17 137.05 34.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.2 p -85.34 147.49 47.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 113.36 3.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.425 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -41.92 -35.02 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.63 0.728 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 165.66 30.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -120.19 -34.35 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.92 136.79 30.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 53.8 Cg_endo -69.78 168.96 20.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.464 ' NE2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mp0 -118.56 172.47 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 50' ' ' LEU . 4.1 m-80 49.81 41.79 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 117' ' ' TYR . 97.0 t -92.0 83.19 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -127.31 149.9 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.55 132.14 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -105.82 148.44 27.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.1 t -106.99 100.07 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.39 -47.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -146.83 -176.35 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p -82.82 -20.06 36.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -109.7 -19.04 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -117.51 155.9 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.8 mt -150.45 135.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -99.05 134.49 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.75 117.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.7 p -120.95 172.9 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.516 ' CZ2' ' HA ' ' A' ' 85' ' ' LEU . 48.9 p90 -173.4 170.05 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' ND2' ' A' ' 34' ' ' ASN . 86.1 mt -131.38 153.79 81.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.7 52.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 160.05 51.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD3' ' NE2' ' A' ' 33' ' ' GLN . 53.7 Cg_endo -69.79 143.52 50.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.2 t -34.32 -43.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.44 -49.44 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -114.56 51.35 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 111.079 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -120.2 41.88 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -59.82 -40.74 89.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.2 143.1 16.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.76 116.34 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 mt -59.71 133.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.0 p -120.22 -41.21 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.92 -172.07 22.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 14.7 m-85 -139.09 147.62 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.905 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -109.05 114.26 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.5 mt -101.61 129.32 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -118.8 113.15 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.96 119.3 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 6.8 ttt180 -121.24 149.3 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HE2' ' CE1' ' A' ' 98' ' ' TYR . 26.1 tptp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 mtp . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.696 0.284 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.29 141.85 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.407 HG23 ' CE2' ' A' ' 87' ' ' TYR . 32.7 m -158.34 138.7 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.14 150.8 47.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -134.28 101.77 12.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.0 Cg_endo -69.76 -30.07 22.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' PRO . 32.0 m120 -38.15 -65.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -148.82 -179.7 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 30.9 mt -83.48 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -152.83 142.83 22.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 2.7 t80 -133.63 117.89 17.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.66 118.23 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 87' ' ' TYR . 94.5 m-85 -102.72 149.39 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.3 p -142.39 152.68 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.01 64.78 2.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.0 mt -124.12 155.78 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.33 133.2 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -78.95 145.0 34.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.35 50.74 63.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -139.71 160.12 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -99.35 133.81 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.546 ' CE1' ' HE2' ' A' ' 70' ' ' LYS . 26.8 m-85 -127.27 151.72 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -118.56 138.95 52.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.01 163.66 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -159.62 140.17 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.8 t -115.05 143.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.5 m -140.58 133.52 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.46 113.44 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.438 ' HE1' ' CA ' ' A' ' 64' ' ' TYR . 69.4 mtm -91.8 134.96 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.8 p -123.75 163.77 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.8 p -43.44 -37.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -69.76 -47.5 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.49 -179.52 40.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 m -64.61 133.4 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.94 -170.03 32.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.58 40.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.218 . . . . 0.0 112.409 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 7.2 t -58.95 165.21 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -47.79 159.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -94.7 95.14 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.571 ' CE1' HG12 ' A' ' 35' ' ' VAL . 74.9 m-85 -81.56 146.14 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -120.9 138.76 53.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.19 134.19 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -108.2 125.67 51.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -82.01 144.7 51.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.12 2.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -39.32 -41.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 124' ' ' ASN . 13.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.673 0.749 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 m -123.24 -14.25 7.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.68 143.18 30.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.53 18.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -131.16 161.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 57.28 45.86 19.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 117' ' ' TYR . 47.8 t -91.42 94.97 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 m -144.67 166.19 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 mt -118.18 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.23 130.4 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' ' HD3' ' A' ' 122' ' ' PRO . 99.6 t -96.25 103.58 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -86.02 -47.26 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -143.8 -178.64 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -76.93 -22.11 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -120.69 -2.0 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 m -125.53 129.09 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mt -130.43 141.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 12.4 tptm -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.1 118.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 166.57 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 85' ' ' LEU . 47.1 p90 -170.08 174.85 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 14.4 mt -138.5 158.95 69.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 53.3 Cg_endo -69.85 154.64 67.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.77 168.28 22.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.68 131.33 21.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' PRO . 23.1 m -36.25 -36.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.49 -77.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.1 t -71.87 -41.27 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.164 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -39.29 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -116.87 72.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.26 125.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 100.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.403 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 50.0 mt -54.94 123.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.2 p -91.79 -45.43 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.59 -164.93 14.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 60.4 m-85 -138.5 145.12 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.73 140.69 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.442 HD12 ' CH2' ' A' ' 49' ' ' TRP . 14.5 mt -137.47 106.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -105.17 144.22 32.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 47.7 p-80 -126.14 159.56 32.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -166.66 155.12 10.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 3.7 tppt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.401 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 73.5 mtp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.751 0.31 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.67 163.7 32.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.413 HG21 ' CE2' ' A' ' 87' ' ' TYR . 99.2 m -159.86 109.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' CE ' ' A' ' 105' ' ' MET . 10.1 mt -85.45 136.91 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -134.99 101.11 11.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.681 0.753 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.6 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PRO . 35.2 m-80 -34.42 -71.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.497 ' HB2' ' CD1' ' A' ' 86' ' ' TRP . 54.6 m-80 -153.12 -177.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -84.62 31.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' A' ' 84' ' ' ASN . 62.0 p-90 -141.9 144.51 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.413 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.8 t80 -138.67 123.53 18.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.53 105.45 15.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -87.91 150.33 23.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.3 p -143.04 137.2 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 57.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.07 170.04 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.4 155.21 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.5 pttt -87.47 172.02 10.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 36.27 33.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 94' ' ' LYS . 11.1 p -113.06 166.54 11.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -109.99 145.9 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -149.47 158.73 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -136.79 137.42 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -131.83 162.33 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.497 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 3.6 pt20 -149.37 165.61 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.0 t -136.95 133.55 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -128.6 117.87 21.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 105.19 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 80' ' ' LEU . 21.4 mtm -87.48 138.56 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.5 p -124.34 -177.51 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.99 -13.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.46 -70.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.77 -145.0 4.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.3 144.89 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.79 -167.72 43.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.41 13.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 115' ' ' ASN . 15.5 t -50.02 168.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' N ' ' HG ' ' A' ' 114' ' ' SER . 67.8 m-20 -49.24 148.51 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 40.0 m95 -75.83 98.83 4.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.57 ' CE2' HG11 ' A' ' 35' ' ' VAL . 63.0 m-85 -81.5 153.28 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 82.1 m -138.94 131.34 28.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -118.38 128.11 54.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.34 124.13 38.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 48.0 p -71.91 136.31 82.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HD3' ' CG1' ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.71 -35.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 123.1 9.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -92.9 -38.77 11.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 141.56 68.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.693 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 164.5 34.23 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.51 68.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 t30 65.11 40.17 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.47 104.93 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -155.38 162.64 40.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 100' ' ' PHE . 13.7 mt -114.53 129.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.04 124.05 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -85.63 116.06 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t -94.6 -45.55 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -150.17 -179.17 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 p -73.39 -22.86 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -124.2 18.97 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -147.62 133.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -140.47 128.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -96.34 141.8 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.7 118.89 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.9 p -116.99 155.95 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.537 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 46.9 p90 -156.05 170.36 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.68 155.48 71.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.3 53.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.7 69.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -53.73 -23.8 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -51.91 -62.53 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ASN . 14.3 t -85.05 -20.11 30.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 111.206 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -49.88 91.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -122.13 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.71 138.84 3.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -70.84 104.64 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.71 144.21 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 p -122.69 -22.2 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.94 -162.62 23.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.1 m-85 -149.39 143.95 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.961 0.41 . . . . 0.0 110.914 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -99.9 125.43 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mt -121.73 107.04 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -100.55 131.88 46.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -134.71 154.92 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -170.65 179.11 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.96 143.87 26.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -152.52 139.15 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -135.57 139.08 43.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.57 101.53 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.7 Cg_endo -69.74 -26.64 27.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.388 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 22.0 m-80 -37.45 -66.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.444 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 47.5 m-80 -136.14 -175.74 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.678 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.6 mt -97.17 21.04 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.444 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 68.1 p-90 -134.38 146.8 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.772 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 2.7 t80 -133.67 128.11 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.42 ' CD1' ' CG2' ' A' ' 90' ' ' THR . 3.2 tm? -106.6 107.41 18.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.772 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.3 m-85 -98.34 144.36 27.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 88' ' ' LEU . 13.9 p -144.38 150.96 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.04 58.72 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.59 159.47 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.61 123.94 28.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -56.95 143.54 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 62.7 70.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -156.41 171.67 19.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -113.02 139.58 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -136.84 150.38 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -108.47 159.18 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 37' ' ' LEU . 85.6 m-85 -150.55 170.45 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 102' ' ' VAL . 8.5 tt0 -169.97 150.07 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' A' ' 49' ' ' TRP . 48.2 t -133.37 145.93 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -154.03 120.85 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 124.86 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.404 ' HG2' ' CG2' ' A' ' 110' ' ' THR . 36.7 mtm -103.7 130.34 51.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -111.86 172.58 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.28 -31.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -73.66 -53.38 10.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.18 -168.79 38.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 105' ' ' MET . 3.5 m -98.9 160.96 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.32 -177.4 24.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.55 65.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 135.69 30.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.9 p -77.86 166.28 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -46.93 131.26 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -67.84 100.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -81.71 132.3 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.62 147.03 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.85 127.4 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -100.67 113.95 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.95 144.29 99.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.172 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 140.64 43.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.57 -23.06 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.625 0.726 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.54 38.07 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -114.43 43.53 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.93 134.21 8.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.575 0.703 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.03 7.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -114.05 167.2 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 45.98 51.34 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 117' ' ' TYR . 98.1 t -91.19 87.53 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -128.11 163.9 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.44 122.74 41.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -104.94 134.52 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -95.71 101.64 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -82.44 -48.0 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -143.94 -175.89 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.8 p -83.21 -18.57 38.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -118.37 -13.8 9.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 1.6 m -113.6 159.61 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 46' ' ' LYS . 11.4 mt -157.67 143.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 45' ' ' ILE . 18.2 tptp -110.22 126.17 53.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.02 117.89 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.3 p -122.08 177.83 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CE2' ' O ' ' A' ' 85' ' ' LEU . 43.2 p90 -174.27 171.62 3.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -134.42 154.09 79.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 156.72 62.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 53.3 Cg_endo -69.81 170.0 17.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 150.3 68.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.4 p -57.35 -15.66 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.2 -34.71 45.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -97.22 -19.78 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 111.099 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 59.9 mt-30 -68.74 125.31 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -30.13 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.35 179.39 16.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -83.41 123.83 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.9 mm -63.11 118.72 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -101.9 -45.57 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -160.26 -171.51 26.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.657 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 m-85 -138.31 128.13 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.53 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.79 107.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -99.61 127.54 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -121.28 155.91 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -154.8 148.8 25.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.563 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 1.9 ptt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -127.68 152.62 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.1 m -151.31 114.19 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 64' ' ' TYR . 11.7 mt -90.44 140.03 30.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.28 101.37 12.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.9 Cg_endo -69.72 -39.1 6.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' PRO . 11.6 m120 -34.34 -70.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.84 176.65 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.4 mt -88.44 31.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 67.6 p-90 -148.66 150.65 33.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -136.07 110.91 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.81 124.2 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.46 152.63 21.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -148.42 158.19 43.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.85 50.99 3.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -114.15 152.48 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -77.17 125.84 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -64.55 133.52 52.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.44 47.86 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -141.33 155.37 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -92.78 139.99 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -139.07 152.5 47.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 146.03 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -145.88 153.13 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.85 166.88 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.401 HG13 ' CG ' ' A' ' 49' ' ' TRP . 92.2 t -141.37 134.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -130.13 136.53 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.39 129.9 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 22.8 mtm -117.85 137.35 52.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 p -120.07 174.73 6.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -54.39 -23.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -78.66 -64.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.08 -138.08 2.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.8 m -124.79 134.4 52.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.83 -166.55 39.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.54 53.07 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 p -76.69 168.39 20.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -57.92 160.39 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -83.1 90.17 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 35' ' ' VAL . 82.4 m-85 -79.93 127.26 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 119' ' ' ALA . 35.0 m -103.69 142.35 34.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 118' ' ' THR . . . -129.83 141.6 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -111.49 125.32 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 p -83.77 141.73 41.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.96 -37.63 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 166.24 28.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.638 2.225 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -127.47 32.66 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 124.51 2.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.6 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.63 49.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -109.5 178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.9 t30 50.42 44.61 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 117' ' ' TYR . 84.5 t -92.2 89.58 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.0 m -129.43 169.96 14.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 51.0 mt -118.79 136.34 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -125.49 106.63 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.79 97.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.453 HG12 ' ND2' ' A' ' 41' ' ' ASN . 94.8 t -68.8 -52.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.453 ' ND2' HG12 ' A' ' 40' ' ' VAL . 75.4 m-20 -148.0 178.53 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -64.1 -23.16 67.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -129.44 30.98 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -155.22 127.41 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.3 mt -137.16 122.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -98.62 126.79 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 61.6 t -116.38 121.35 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -113.68 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.616 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 34.1 p90 -170.71 174.59 4.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -140.29 157.31 68.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.98 68.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.73 20.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 160.58 49.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -64.72 156.69 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.75 -38.82 3.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -85.17 -57.92 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.63 93.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -66.42 -58.66 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.61 139.26 14.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -54.95 114.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mp -57.36 123.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.9 p -89.37 -42.83 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.1 179.61 23.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 20.1 m-85 -126.55 147.05 49.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.952 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 66' ' ' ILE . 23.3 tttt -102.15 152.47 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 65' ' ' LYS . 15.2 mt -139.99 135.4 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -121.83 122.2 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.406 ' C ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 p-80 -113.33 144.81 42.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 13.6 mtp180 -157.22 158.6 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 9.7 tttm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.19 162.94 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 m -158.69 141.86 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -119.07 156.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -134.21 101.84 12.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.8 Cg_endo -69.77 -12.62 33.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.228 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -59.53 -75.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -142.43 -175.03 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 2.8 mt -87.65 38.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 86' ' ' TRP . 43.0 p-90 -151.89 134.54 15.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 1.8 t80 -123.5 115.0 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -95.96 104.37 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 58.1 m-85 -91.08 147.2 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.3 p -142.39 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 44.67 24.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.48 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -85.17 116.53 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -56.79 164.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.67 51.94 36.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -156.28 153.04 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 20.5 tt0 -95.09 155.97 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 61.8 m-85 -151.55 146.79 26.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.4 m -112.17 162.65 15.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -154.36 134.42 13.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.564 ' NE2' ' NE1' ' A' ' 116' ' ' TRP . 34.6 tt0 -137.12 119.79 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.517 HG21 ' CE3' ' A' ' 49' ' ' TRP . 98.6 t -97.79 145.58 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 m -138.92 163.79 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.05 111.65 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.1 mtm -92.98 128.95 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -100.9 179.05 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -11.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -96.52 -72.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -157.51 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -98.18 125.83 43.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.78 178.92 23.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.71 43.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 150.82 68.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 73.8 p -97.97 177.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -44.02 147.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.564 ' NE1' ' NE2' ' A' ' 101' ' ' GLN . 44.8 m95 -90.08 99.63 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.566 ' CE1' HG13 ' A' ' 35' ' ' VAL . 23.4 m-85 -85.52 140.98 30.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 m -117.1 148.63 41.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -132.52 157.77 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -126.85 133.68 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.4 p -85.43 135.16 39.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.14 3.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -40.97 -41.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.49 60.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 m -113.32 -27.1 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.34 125.86 75.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.31 42.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -114.7 168.07 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.5 t30 60.8 46.72 8.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.551 HG12 ' CE1' ' A' ' 117' ' ' TYR . 17.3 t -94.31 98.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -153.81 158.85 41.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 100' ' ' PHE . 62.5 mt -103.88 155.59 18.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -138.53 109.72 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.52 95.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 17.3 t -75.47 -52.15 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -149.5 177.07 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 p -62.19 -39.57 93.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.36 35.0 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -155.21 143.46 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.0 mt -146.63 141.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -112.05 130.61 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.2 t -125.81 128.15 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -127.69 165.92 19.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 37.2 p90 -159.69 173.93 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -143.73 155.98 59.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 155.62 65.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.57 67.21 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.6 p -51.12 169.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.87 -48.26 3.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -76.7 -40.54 48.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -40.27 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.38 68.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.29 176.19 14.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.37 119.57 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.76 87.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.1 p -51.76 -57.05 10.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.97 -161.41 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 40.2 m-85 -133.18 127.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' CE ' ' A' ' 105' ' ' MET . 0.6 OUTLIER -79.61 122.86 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mt -117.85 107.13 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -112.38 128.53 56.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -128.19 131.39 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -135.24 141.98 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.692 0.282 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -92.65 130.79 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -142.79 143.94 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -135.64 139.98 44.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.53 101.63 17.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.81 8.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -37.84 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -117.46 174.48 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.541 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.5 mt -100.65 20.97 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -140.5 146.38 38.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.72 117.35 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.63 121.02 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -100.3 120.85 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -115.7 166.22 12.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.75 57.94 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.0 144.8 43.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -80.58 110.21 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -42.03 151.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.47 55.8 21.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -145.5 152.23 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -102.91 111.53 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.55 152.14 29.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 m -124.77 162.43 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.415 ' CD1' HD22 ' A' ' 37' ' ' LEU . 40.8 m-85 -143.27 169.25 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.55 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 34.3 tt0 -161.21 147.19 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 103' ' ' SER . 40.9 t -137.93 142.42 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.424 ' N ' HG11 ' A' ' 102' ' ' VAL . 46.5 t -150.87 128.06 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.42 114.67 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.488 ' CE ' ' N ' ' A' ' 65' ' ' LYS . 11.8 ptp -112.58 144.98 41.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.8 p -116.17 -175.48 2.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.04 -22.06 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.33 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.25 -162.31 24.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.487 ' HA ' ' CB ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -104.85 116.89 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.121 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.63 -172.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 144.26 53.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.441 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.4 p -80.59 169.69 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -43.02 145.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.55 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 40.9 m95 -84.71 102.22 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.551 ' CE1' HG12 ' A' ' 35' ' ' VAL . 58.8 m-85 -88.25 151.73 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.6 m -137.49 144.77 42.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.83 138.86 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -104.66 131.55 51.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.5 p -78.17 143.28 64.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.538 0.685 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.74 8.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.91 -40.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.2 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.82 113.29 3.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m -76.97 -47.07 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.54 128.49 93.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.555 0.693 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.81 26.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.17 44.44 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.62 158.77 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 68.01 46.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 117' ' ' TYR . 57.3 t -99.28 90.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 t -133.19 163.64 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.7 147.37 30.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -126.97 131.48 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -100.0 109.23 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.0 t -98.48 -44.55 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -148.93 -176.93 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.5 p -73.96 -39.03 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -112.01 30.54 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -153.43 131.26 11.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -143.41 126.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.04 146.85 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.4 t -136.85 119.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -118.23 171.57 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' HD13 ' A' ' 66' ' ' ILE . 49.2 p90 -169.46 164.77 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.66 154.43 80.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.78 20.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.07 69.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' GLY . 30.8 t -50.62 -54.36 23.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.34 -68.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.5 p -62.68 -47.22 84.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.314 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -38.13 99.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.67 35.92 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -177.47 38.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -103.13 105.25 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.65 131.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -117.18 -40.49 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.25 -162.2 12.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -144.92 154.54 42.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -117.04 124.14 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.55 HD13 ' CZ3' ' A' ' 49' ' ' TRP . 11.1 mt -112.31 114.64 47.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 67' ' ' ARG . 12.3 ttm105 -115.12 124.42 51.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -110.55 141.54 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.2 ttp180 -118.82 148.59 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 19.4 tptp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.731 0.3 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -90.66 127.38 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -143.79 132.11 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 pp -124.65 142.37 51.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 4.0 tp10 -133.83 102.28 12.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.6 Cg_endo -69.79 -29.81 23.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -38.1 -65.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 57.4 m-80 -141.32 179.3 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.64 29.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 62.2 p-90 -141.03 141.4 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.555 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.0 t80 -134.07 118.09 17.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -95.92 109.27 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 72.4 m-85 -92.88 144.58 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.0 p -139.29 159.93 41.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.06 56.11 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.6 mt -113.62 164.28 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.5 150.12 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.35 147.77 25.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.42 42.53 95.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.6 m -131.0 -175.68 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.58 145.17 48.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.25 131.03 20.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 m -100.13 157.16 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.1 158.18 42.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -153.69 167.79 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.8 t -138.37 139.23 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.1 p -138.23 133.39 33.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 119.51 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 22.5 mtm -97.92 137.66 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.8 p -126.72 177.4 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -55.16 -17.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -88.28 -60.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.17 -126.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -132.01 144.72 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.183 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.5 -173.94 50.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.533 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.96 55.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.58 2.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASN . 98.3 p -49.55 161.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 81.5 m-20 -37.7 146.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -80.55 91.2 5.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 35' ' ' VAL . 59.3 m-85 -79.72 146.26 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -134.23 149.54 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.46 131.96 20.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.86 126.97 38.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.0 p -74.7 143.28 78.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 124.04 10.69 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.16 -41.05 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.77 157.64 59.68 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 t -112.82 -16.38 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.66 123.59 38.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 169.79 18.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.02 69.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -104.22 174.17 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 44.87 50.73 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 92.9 t -99.23 85.74 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 160.59 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.28 158.03 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.13 143.0 47.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.55 100.02 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -78.72 -46.28 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -157.62 178.86 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -70.37 -15.91 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -129.56 10.65 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 m -140.66 140.13 34.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.34 129.67 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -91.65 135.48 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -129.64 147.83 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -149.99 170.68 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.536 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 44.0 p90 -168.65 162.7 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -132.56 154.51 81.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.48 21.45 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.42 28.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -46.07 114.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.48 -9.02 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -125.79 5.24 7.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -107.08 43.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -37.79 -52.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.23 134.21 13.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.11 97.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.06 127.59 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -104.54 -43.68 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.54 -163.88 13.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 1.2 m-85 -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.981 0.42 . . . . 0.0 110.881 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.87 122.73 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 10.7 mt -110.15 119.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -120.82 142.26 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -138.46 154.63 48.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -145.91 148.56 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.3 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -136.29 132.51 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.1 m -151.5 140.25 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -124.41 152.16 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -136.16 104.67 9.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.03 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -42.9 -70.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -140.24 174.33 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.604 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -85.85 26.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -139.1 143.28 38.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 2.5 t80 -134.39 108.54 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -88.71 104.86 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 56.9 m-85 -85.99 145.08 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -142.39 157.93 44.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.5 45.9 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.17 175.92 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.16 151.77 21.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -91.04 164.03 14.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.01 38.59 89.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -131.99 172.93 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -122.27 112.19 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -113.37 157.01 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -132.88 164.08 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -144.28 166.53 24.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.596 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 8.9 tt0 -156.09 139.58 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.436 HG11 ' CG ' ' A' ' 49' ' ' TRP . 77.5 t -122.9 136.67 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.91 140.06 46.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.09 115.7 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 34.7 mtm -92.64 140.62 29.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.3 p -123.66 159.21 29.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -44.59 -23.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -88.45 -72.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.45 -178.58 22.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -76.94 156.91 31.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -94.34 -176.83 38.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.1 52.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.8 Cg_endo -69.75 115.1 3.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -61.15 166.2 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -42.1 161.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.596 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 63.1 m95 -101.79 92.58 4.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.419 ' CZ ' ' O ' ' A' ' 35' ' ' VAL . 68.8 m-85 -81.34 119.54 23.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 m -97.47 136.53 37.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -123.93 130.69 53.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.91 126.4 44.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.6 p -78.42 146.74 70.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 108.17 2.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -39.93 -38.04 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.653 0.739 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.77 174.01 10.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -129.96 -3.29 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 131.42 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 164.84 33.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.76 26.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 50' ' ' LEU . 46.0 mt-30 -119.14 162.22 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.83 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -86.88 91.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -135.34 168.11 19.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.59 147.85 43.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -133.02 131.75 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.5 t -87.85 100.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.23 -44.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -152.93 -177.18 6.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 p -70.71 -25.01 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -125.88 16.96 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -140.46 132.09 27.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.84 133.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.36 141.2 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -141.44 132.14 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -130.21 -178.7 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.602 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 46.4 p90 -171.6 171.27 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' GLN . 47.7 mt -141.35 156.13 67.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 156.69 62.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 139.64 41.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.6 p -45.08 168.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -55.34 4.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 p -70.3 -41.13 73.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 73.7 mt-30 -37.56 135.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.26 -52.55 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.26 155.31 21.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.96 111.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -55.02 106.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.4 p -84.33 -35.83 22.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -162.29 -169.15 25.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 2.6 m-85 -137.95 136.87 37.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -94.71 116.46 28.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.13 116.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -111.3 130.62 55.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 100' ' ' PHE . 26.5 p80 -134.15 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.15 164.66 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.6 mmm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.88 126.24 35.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 m -142.77 138.82 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' CD1' ' HD3' ' A' ' 82' ' ' PRO . 4.5 pp -125.34 151.86 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -133.36 101.67 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD3' ' CD1' ' A' ' 80' ' ' LEU . 54.0 Cg_endo -69.77 -27.69 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -45.73 -69.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -132.0 -179.2 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 12.9 mt -89.93 27.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 41.6 p-90 -145.94 158.01 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -135.86 117.05 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.91 104.68 16.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 p -144.18 145.74 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.25 57.4 1.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.89 172.69 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -98.05 131.27 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -71.09 143.09 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.36 38.18 80.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -131.07 166.74 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -113.35 130.96 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -134.99 145.35 48.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 p -122.31 156.72 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 94.3 m-85 -137.51 178.55 7.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -162.36 156.81 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 49' ' ' TRP . 46.2 t -135.46 142.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -145.39 136.61 24.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.74 104.1 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' ' 64' ' ' TYR . 48.6 mtm -88.57 121.42 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 159.0 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -45.56 -21.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -76.29 -45.45 32.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.48 -122.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.5 m -130.11 119.52 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.139 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -62.23 -178.27 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 148.28 64.23 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 144.4 54.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -88.8 177.9 6.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.487 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 34.2 m120 -56.81 155.49 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -94.29 91.33 6.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' A' ' 115' ' ' ASN . 95.8 m-85 -84.01 140.94 31.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.7 m -119.45 148.1 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.8 130.13 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -96.82 134.12 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -83.81 143.71 43.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -40.41 -42.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 170.62 16.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -128.99 11.04 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.15 122.04 19.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 166.28 28.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.1 69.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.758 2.306 . . . . 0.0 112.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.26 170.4 9.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 48.02 48.55 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.8 t -95.05 95.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -140.53 169.41 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' HG23 ' A' ' 47' ' ' VAL . 87.5 mt -116.32 159.15 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -148.98 119.85 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -90.81 110.47 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.8 -44.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.08 163.28 32.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -58.97 -24.67 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 25.16 6.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -147.78 123.09 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.1 mt -134.59 133.07 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 23.6 tttp -103.12 147.79 26.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG23 ' CD2' ' A' ' 37' ' ' LEU . 85.3 t -134.28 122.45 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.4 m -118.74 159.33 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 66' ' ' ILE . 44.8 p90 -156.16 141.72 17.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 50' ' ' LEU . 3.6 mm? -109.22 158.75 33.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.19 68.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 54.2 Cg_endo -69.74 168.91 20.16 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 t -43.71 140.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.47 -61.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ASN . 16.4 p -55.13 -52.48 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.189 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 81.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.0 t30 -76.95 58.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.77 43.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.21 108.14 20.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 79.3 mt -64.36 77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -26.43 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.11 -160.14 23.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -142.07 154.97 45.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -114.12 145.17 42.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 13.4 mt -126.02 104.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HB3' ' CG ' ' A' ' 101' ' ' GLN . 3.8 tpp85 -91.94 120.34 32.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 7.6 p-80 -125.08 165.5 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -162.38 166.45 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 19.3 tptm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.489 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.1 mmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.76 0.315 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.21 147.96 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.4 m -157.04 135.39 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.61 144.78 46.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.58 101.63 11.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.82 23.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -39.1 -64.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -135.84 -175.69 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 64' ' ' TYR . 6.5 mt -97.26 24.2 6.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.409 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 61.3 p-90 -141.34 141.62 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -133.19 132.11 41.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 90' ' ' THR . 3.5 tm? -112.03 111.08 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -90.14 148.03 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 88' ' ' LEU . 76.6 p -145.04 136.78 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.88 36.87 1.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.78 172.93 7.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.58 139.37 32.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -74.59 143.8 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.6 47.95 78.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 m -143.61 167.83 21.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 24.6 tt0 -106.84 158.83 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 32.5 m-85 -153.73 140.52 19.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.8 m -107.69 148.07 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -147.21 167.35 24.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.475 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 1.7 pt20 -165.85 170.54 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 103' ' ' SER . 63.8 t -136.79 138.22 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.447 ' N ' HG12 ' A' ' 102' ' ' VAL . 9.2 m -135.19 125.45 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.33 110.36 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.414 ' HE1' ' C ' ' A' ' 64' ' ' TYR . 16.2 mtm -86.0 124.09 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ASN . 18.8 p -108.08 156.52 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -39.39 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' THR . 70.2 m-80 -81.1 -68.33 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.0 -176.71 36.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.99 139.9 58.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.41 -164.85 40.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.79 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.6 p -48.47 170.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.09 144.37 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.475 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 76.0 m95 -76.41 92.09 3.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -82.06 132.73 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 119' ' ' ALA . 49.7 m -111.75 142.44 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' HG22 ' A' ' 118' ' ' THR . . . -125.29 140.3 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -104.44 128.29 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.8 p -82.73 140.43 43.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 111.154 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 120.13 6.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.3 -32.78 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -150.85 167.22 28.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -94.99 97.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.95 93.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -147.9 156.88 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -132.23 115.03 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.84 159.39 3.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -106.09 171.99 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.34 165.24 24.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -52.88 156.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.54 147.11 16.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.06 2.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.29 103.69 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.51 170.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 p -165.87 136.54 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -171.65 159.25 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -157.5 106.75 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.47 162.93 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.5 mm -91.57 132.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 p -101.66 158.88 15.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' CG2' HG22 ' A' ' 23' ' ' THR . 2.2 p -67.89 114.3 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 p -121.79 31.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 HG22 ' CG2' ' A' ' 21' ' ' VAL . 11.0 t -78.84 142.81 36.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.48 145.15 25.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -120.41 148.15 44.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' OD1' ' ND2' ' A' ' 58' ' ' ASN . 1.9 m-20 -114.3 16.54 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -67.91 152.02 96.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.621 0.724 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.68 41.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -125.83 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.18 141.06 1.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 111.057 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.98 22.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.0 11.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -120.29 168.77 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.415 ' CG ' HD13 ' A' ' 50' ' ' LEU . 4.2 m120 54.89 42.28 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 117' ' ' TYR . 95.6 t -96.68 93.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -131.39 169.99 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.31 149.09 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.98 110.65 4.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.3 t -79.19 112.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -84.73 -44.86 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.04 -179.91 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -67.16 -38.3 85.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -119.25 34.85 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -152.53 133.02 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 46' ' ' LYS . 78.6 mt -146.13 133.42 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' CA ' HD11 ' A' ' 88' ' ' LEU . 28.0 tttt -105.48 123.5 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -108.08 122.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 p -109.3 166.26 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CH2' HD11 ' A' ' 66' ' ' ILE . 34.0 p90 -174.61 171.1 3.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD13 ' CG ' ' A' ' 34' ' ' ASN . 47.9 mt -144.28 156.64 57.5 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.01 36.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.45 63.33 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.1 p -75.47 58.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.04 -36.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -87.8 -51.58 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.59 132.31 46.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 6.5 t30 -95.22 -50.69 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.46 146.7 23.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ILE . 13.8 p90 -61.69 105.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' PHE . 22.5 mm -35.38 121.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.3 p -95.88 -46.4 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -153.02 -159.88 9.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 11.5 m-85 -147.97 144.02 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -98.99 141.54 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 HD11 ' CH2' ' A' ' 49' ' ' TRP . 15.7 mt -131.37 127.55 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -128.85 114.17 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 25.3 p80 -102.9 148.54 25.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 56.1 mtp180 -125.0 147.92 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 71' ' ' THR . 1.2 tmtp? -119.05 145.71 45.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.437 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 1.8 t -73.4 65.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ARG . 7.2 m -159.83 167.69 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' ARG . 78.4 mtm180 -36.25 146.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -34.41 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.29 44.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -65.74 -176.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.557 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 51.1 mtp -158.7 128.26 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -99.52 146.78 26.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 m -160.87 148.69 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.91 146.06 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -134.15 101.58 12.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -22.24 32.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -48.01 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -126.4 -179.72 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.616 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.9 mt -98.2 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -155.24 140.33 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.4 120.23 15.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.419 HD11 ' CA ' ' A' ' 46' ' ' LYS . 5.4 tp -96.58 119.71 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.65 114.09 27.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 p -117.72 140.48 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.82 10.42 6.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 17.8 mt -75.34 -175.54 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -112.9 -178.87 3.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -94.52 161.93 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.38 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -119.01 179.64 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -137.45 126.8 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.435 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 60.0 m-85 -129.04 146.07 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -125.32 149.6 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -134.61 174.08 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.48 ' OE1' ' CZ2' ' A' ' 116' ' ' TRP . 7.3 pt20 -163.94 134.11 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 92.2 t -107.4 141.4 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -136.44 129.25 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.42 133.76 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 22.1 mtm -115.75 126.56 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -110.24 -178.05 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 18.2 m -64.15 -22.89 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.52 -63.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.58 -159.07 11.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -85.13 141.8 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.26 176.89 40.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.62 26.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.33 14.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.9 p -111.48 -179.25 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -47.38 147.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.561 ' CH2' ' HD2' ' A' ' 69' ' ' ARG . 46.2 m95 -82.1 91.83 6.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.431 ' CE1' HG11 ' A' ' 35' ' ' VAL . 77.0 m-85 -76.38 126.82 31.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 m -108.89 150.73 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.1 140.88 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.3 145.93 37.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.0 p -86.0 148.69 48.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 123' ' ' GLU . 53.8 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.3 mt-10 -35.66 -43.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -64.27 175.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.824 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -97.53 155.99 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.88 -71.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -132.33 175.87 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -154.84 177.82 10.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.23 111.83 1.04 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -173.25 130.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 1.3 mpp_? -81.67 158.64 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 9.7 m-85 -162.93 168.11 21.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.87 154.99 16.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.78 52.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.745 2.297 . . . . 0.0 112.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.38 -137.23 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 15' ' ' SER . 87.5 t -111.08 142.52 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' HG11 ' A' ' 14' ' ' VAL . 88.5 p -99.72 173.31 6.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.7 m -134.07 158.93 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -107.53 151.5 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -123.67 179.7 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.67 142.08 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 p -149.3 142.5 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.91 98.5 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.5 p -95.15 33.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -80.34 141.22 35.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -125.02 127.68 47.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 p -163.96 176.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.45 0.69 9.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -41.55 151.63 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.74 158.34 57.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -109.5 8.95 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.08 139.4 15.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 111.079 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -132.18 162.64 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 59.15 50.94 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 117' ' ' TYR . 26.2 t -96.76 93.32 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -149.43 163.8 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 100' ' ' PHE . 15.3 mt -107.14 153.8 22.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -135.89 120.48 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.32 95.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.57 -35.88 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -159.23 -175.18 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -73.94 -20.07 60.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 43' ' ' ARG . 4.7 ptp180 -130.82 25.11 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -149.19 131.59 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.2 mt -138.52 122.56 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 16.7 tptm -90.33 143.77 26.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.33 140.51 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 p -139.85 171.64 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.497 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 42.1 p90 -167.23 173.27 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -144.07 158.48 55.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.361 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.94 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.38 67.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.2 p -51.2 165.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.32 -59.31 4.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.6 p -64.39 -30.42 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -53.32 116.4 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.01 -26.59 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.6 151.72 22.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -53.58 116.22 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.424 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 mp -57.88 102.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -66.62 -33.9 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.89 -152.25 7.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.481 ' CE2' HD21 ' A' ' 85' ' ' LEU . 89.4 m-85 -150.12 156.6 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.3 ttmm -126.28 128.41 47.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.1 mt -110.1 118.23 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -103.97 123.52 47.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -139.05 143.76 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -156.72 149.13 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -84.81 154.53 22.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.1 t -74.2 70.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' ARG . 26.4 m -131.69 163.79 27.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' THR . 8.3 mpt_? -34.9 -52.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -163.53 138.87 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.78 93.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -129.43 139.11 51.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 37.7 ttp -122.1 161.84 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.2 146.33 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 m -156.78 132.23 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 pp -135.34 141.9 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' CD ' ' HB2' ' A' ' 83' ' ' ASN . 3.8 tp10 -134.87 101.57 11.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -32.04 19.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.414 ' HB2' ' CD ' ' A' ' 81' ' ' GLU . 11.3 m-80 -44.02 -69.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -120.78 168.61 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -92.28 28.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.43 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 49.5 p-90 -145.65 139.0 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -137.37 122.61 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.04 136.84 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.78 128.68 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.0 p -123.46 155.79 36.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.25 36.58 5.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.46 164.15 12.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 163.32 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -86.31 157.72 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.38 51.41 6.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -130.68 166.56 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.31 151.27 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -152.55 158.73 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 m -130.53 158.54 39.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.429 ' CD1' HD22 ' A' ' 37' ' ' LEU . 82.8 m-85 -148.83 168.85 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.574 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 18.0 tt0 -163.62 160.08 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.406 HG21 ' C ' ' A' ' 101' ' ' GLN . 20.0 t -138.63 134.57 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -133.1 121.45 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.08 116.51 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.5 mtm -87.64 131.92 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 p -119.19 -177.34 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.93 -14.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.55 -65.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.73 -163.78 23.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 p -68.53 152.4 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.66 -162.25 34.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.24 39.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 112.48 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.749 2.3 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.1 p -73.62 158.68 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -41.33 131.84 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 49.7 m95 -74.4 104.45 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.421 ' CE1' HG13 ' A' ' 35' ' ' VAL . 86.6 m-85 -85.76 158.23 20.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.8 m -137.83 150.77 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.38 143.35 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -109.79 140.41 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.7 p -84.91 143.68 40.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.49 -37.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -155.67 157.08 36.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -170.31 175.79 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.47 146.4 4.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -172.76 141.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -163.26 169.34 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.68 147.46 5.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 1.4 p-10 -173.06 113.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -138.72 107.57 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.63 161.92 41.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.21 85.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.32 56.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.39 78.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -173.26 125.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.6 p -126.7 42.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -122.95 45.09 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -133.55 163.92 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.0 mt -85.63 139.93 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -149.2 155.25 40.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.75 148.07 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 6.7 p -130.47 46.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -98.82 112.19 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -110.15 114.28 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 m -146.7 152.75 39.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.31 27.17 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -87.41 151.37 50.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HG2' ' CD ' ' A' ' 112' ' ' PRO . 54.1 Cg_endo -69.71 167.56 24.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -121.78 -23.33 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.46 140.51 21.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 178.78 4.27 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -118.49 167.99 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 50' ' ' LEU . 11.9 m-80 48.7 53.76 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 117' ' ' TYR . 68.6 t -98.08 88.25 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -128.76 166.38 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -132.55 124.12 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -113.85 129.27 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.62 99.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.14 -48.8 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -142.98 -176.43 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 t -74.18 -15.08 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -126.9 -3.84 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -122.77 149.07 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mt -147.09 132.68 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -95.05 124.77 39.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.45 128.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -136.76 164.29 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.639 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 46.2 p90 -163.1 -178.62 6.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' ND2' ' A' ' 34' ' ' ASN . 30.3 mt -153.72 156.07 31.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.59 45.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.96 17.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.77 46.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.7 m -51.16 130.1 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.41 -39.33 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 p -76.6 -42.11 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.44 148.0 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.88 -31.76 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 60' ' ' PHE . . . -112.32 120.06 5.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . 23.6 p90 -36.15 118.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 mp -59.22 102.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.2 p -68.04 -45.02 75.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.83 -160.0 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.639 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.0 m-85 -142.08 137.81 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.933 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -95.51 125.12 39.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 mt -116.88 107.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -109.89 131.2 55.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -130.46 153.41 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -148.93 148.65 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -83.36 167.88 17.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -10.4 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.6 t -98.57 20.0 13.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.44 42.63 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.5 171.59 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.93 104.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -59.15 124.96 21.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 mmm -95.74 176.91 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -145.28 113.64 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.446 HG23 ' CE2' ' A' ' 87' ' ' TYR . 7.6 m -123.71 136.91 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.27 128.3 25.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.78 101.55 15.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.726 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -39.76 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -118.68 155.9 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.513 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mt -83.8 36.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.1 p-90 -157.74 146.97 19.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.446 ' CE2' HG23 ' A' ' 79' ' ' THR . 1.9 t80 -135.1 110.07 8.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.08 115.43 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -98.96 144.26 28.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.8 p -141.49 159.79 41.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.27 50.35 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.95 161.56 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.03 135.39 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -74.13 148.12 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.36 61.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -123.59 151.12 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -88.9 155.61 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -156.16 164.16 38.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.4 m -131.96 158.48 41.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -144.49 168.77 19.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.431 ' OE1' ' NE1' ' A' ' 116' ' ' TRP . 23.2 tt0 -156.62 140.7 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.49 HG11 ' CG ' ' A' ' 49' ' ' TRP . 58.4 t -127.82 133.04 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -135.99 148.7 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.96 111.32 23.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.4 mtm -86.57 127.35 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -108.36 -176.41 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.26 -16.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.96 -69.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.4 -155.46 7.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.2 m -84.81 125.62 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -66.03 -167.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.464 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 53.5 Cg_endo -69.74 132.76 24.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.99 2.69 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t -53.64 149.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.6 m120 -42.91 126.64 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.431 ' NE1' ' OE1' ' A' ' 101' ' ' GLN . 50.5 m95 -62.11 103.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 35' ' ' VAL . 78.5 m-85 -84.32 163.98 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.6 m -132.23 124.88 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -116.47 133.12 56.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.72 136.85 47.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.8 p -88.31 143.63 32.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' GLU . 53.8 Cg_endo -69.72 110.22 2.49 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.1 mt-10 -35.92 -41.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -157.58 175.52 13.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -163.46 176.94 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.6 145.67 5.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.428 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -172.7 166.43 5.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -171.07 179.97 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 174.32 42.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -143.37 114.99 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -85.23 137.9 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -172.79 142.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.26 84.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 161.91 16.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 15' ' ' SER . 77.9 t -143.28 155.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 1.2 t -134.03 157.67 45.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -164.01 127.07 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -144.39 154.44 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -112.11 -179.48 3.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.66 153.55 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -124.6 171.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.93 91.9 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.04 52.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 m -92.63 23.97 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt 42.42 44.87 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -65.0 147.41 53.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' CB ' ' CG ' ' A' ' 108' ' ' ASN . 3.1 m-20 -66.3 -45.37 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' ASP . 14.9 m -34.71 151.29 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 54.1 Cg_endo -69.67 164.45 34.42 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 t -125.83 27.16 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.45 142.83 13.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 169.81 18.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -163.99 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.755 2.303 . . . . 0.0 112.379 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -133.88 160.91 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 54.96 48.67 19.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.548 HG13 ' CE1' ' A' ' 117' ' ' TYR . 89.8 t -91.22 85.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.79 165.13 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 mt -125.8 129.06 48.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -110.99 130.98 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.73 108.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 10.6 t -79.91 -42.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 61.2 m-20 -167.06 -178.5 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -58.14 -29.46 65.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -129.09 35.32 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -153.85 139.49 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.41 ' C ' HG22 ' A' ' 40' ' ' VAL . 96.9 mt -143.75 127.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -90.52 122.82 33.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.494 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 60.4 t -108.16 131.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -127.36 159.6 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 23.8 p90 -168.4 158.86 10.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.6 mt -130.81 157.8 76.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 154.99 67.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.38 21.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.25 42.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -46.57 -45.19 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.56 -62.84 2.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -65.08 -41.41 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -45.47 123.05 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.69 -24.16 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.54 167.89 19.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -76.07 120.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.56 142.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -120.22 -41.52 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.419 ' C ' ' HE2' ' A' ' 105' ' ' MET . . . -170.78 -169.89 34.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.1 m-85 -130.86 145.79 52.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -102.17 121.76 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 HD12 ' CH2' ' A' ' 49' ' ' TRP . 7.1 mt -113.86 111.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -119.38 138.79 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 77' ' ' MET . 9.8 p-80 -125.79 160.29 30.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.822 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.33 156.29 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 23.0 tptp -107.47 130.4 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -56.62 -33.89 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -82.11 -73.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -70.04 143.61 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -93.9 59.2 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.52 131.58 7.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -113.83 164.76 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.404 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 46.3 tpp -164.65 118.27 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -97.02 152.3 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -160.13 127.91 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -112.94 146.12 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -134.18 101.54 12.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -24.03 30.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -48.24 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.53 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 45.1 m-80 -124.72 -177.15 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 15.7 mt -95.39 17.86 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.53 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.5 p-90 -133.04 157.9 44.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -98.42 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -90.65 148.27 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.3 p -146.1 137.36 24.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.68 28.08 4.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 177.07 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.317 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.67 147.93 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -82.29 151.29 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.59 66.15 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -154.99 171.39 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.19 134.13 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 30.7 m-85 -131.03 156.02 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 1.5 t -127.39 151.21 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 99' ' ' SER . 6.8 m-85 -141.47 168.41 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.608 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 6.4 tt0 -155.3 135.15 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.423 HG11 ' CD2' ' A' ' 49' ' ' TRP . 25.3 t -121.05 131.68 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 168.72 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.88 112.63 18.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 63' ' ' GLY . 3.1 mpp? -95.61 140.87 29.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 p -115.96 179.93 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.16 -16.7 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.503 ' CG ' ' CB ' ' A' ' 26' ' ' ASP . 4.8 m-80 -91.96 -69.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.25 -170.11 21.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.2 m -79.72 138.45 37.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -79.99 -176.64 49.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 146.41 59.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.74 46.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -89.97 155.17 19.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -38.37 141.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.608 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 69.1 m95 -81.76 95.24 7.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.548 ' CE1' HG13 ' A' ' 35' ' ' VAL . 70.2 m-85 -78.92 125.43 29.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -103.0 128.78 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.5 142.61 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -107.0 151.84 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.6 p -102.39 144.07 27.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 133.23 25.15 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.92 -29.52 60.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -148.49 178.14 8.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -112.59 -49.67 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.84 119.04 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -174.54 133.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -174.73 167.59 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 97.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -173.8 161.85 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -153.88 147.68 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' CD2' ' HD3' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -160.2 165.19 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.57 86.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.83 -40.58 5.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.64 157.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 7.5 p -172.02 116.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.144 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.5 p -67.61 176.09 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -159.28 137.96 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -162.29 159.77 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.96 -178.88 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mt -127.15 39.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -67.2 160.98 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.01 142.97 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.3 t -107.77 46.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -103.95 134.15 47.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.54 149.46 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -151.05 178.77 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.3 70.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.7 158.58 42.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.435 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.76 146.28 59.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -115.09 -29.46 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.41 120.71 76.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 165.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.7 20.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.1 174.99 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 t30 51.45 38.41 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -87.76 87.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 m -137.25 162.95 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 136.24 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -121.39 144.6 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.1 t -103.38 127.07 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.56 -36.98 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -144.11 -178.95 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 m -76.44 -20.48 57.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.05 3.67 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.93 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.1 mt -138.24 131.66 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -98.42 147.98 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.13 126.72 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 p -121.14 162.41 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.441 ' CH2' ' CD1' ' A' ' 66' ' ' ILE . 45.6 p90 -161.02 157.81 26.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -131.58 155.39 81.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.14 64.29 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.49 34.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.44 66.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -56.02 168.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.75 -46.24 3.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -85.94 -26.17 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -55.52 124.73 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -113.26 57.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.12 176.65 14.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -92.88 102.98 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.8 mp -54.1 106.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.2 p -87.54 -50.02 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 -153.71 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.665 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.0 m-85 -152.39 147.25 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -108.08 110.76 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.441 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 13.5 mt -98.92 106.32 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -98.36 125.77 43.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -136.52 171.0 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -170.91 163.73 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -116.82 156.09 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.4 t -81.6 -175.52 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.3 p 38.62 38.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 154.38 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.34 136.51 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.36 56.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' ' 77' ' ' MET . 11.6 tm-20 -46.57 156.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.402 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 5.5 ttt -145.27 162.44 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -146.1 161.62 39.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.4 m -156.25 152.85 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -129.19 140.49 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -134.68 101.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.3 Cg_endo -69.78 -29.35 23.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 12.5 m-80 -36.61 -64.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -146.96 174.4 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 9.0 mt -84.46 35.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -149.84 140.45 22.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -137.14 119.87 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 1.2 tm? -94.79 103.28 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -82.14 147.23 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 p -144.27 152.29 40.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.38 47.41 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 138.94 43.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.97 146.08 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.58 148.39 42.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.27 72.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 m -158.83 155.14 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -86.86 140.54 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -139.57 131.62 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -104.99 155.67 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -145.44 175.49 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -169.11 165.4 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.439 HG12 ' CG ' ' A' ' 49' ' ' TRP . 43.0 t -149.39 135.43 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 t -135.83 142.47 44.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.73 111.77 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.1 mtm -89.18 133.66 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.8 p -114.81 165.46 12.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.1 p -49.46 -18.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -90.72 -75.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.86 -162.45 10.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.2 m -95.86 141.14 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.77 -165.68 39.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.47 65.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 126.82 13.77 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.4 t -69.6 154.2 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.3 m120 -37.48 130.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -73.34 108.22 6.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 92.1 m-85 -96.38 158.72 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 119' ' ' ALA . 53.2 m -137.89 140.43 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.44 ' N ' HG23 ' A' ' 118' ' ' THR . . . -129.75 142.74 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -105.52 128.13 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.3 p -78.93 140.04 57.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.133 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' GLU . 54.4 Cg_endo -69.71 109.67 2.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 122' ' ' PRO . 24.1 mm-40 -36.36 -40.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -162.72 157.55 21.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -175.01 169.63 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.53 163.71 27.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -174.65 160.96 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -170.11 179.06 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.36 -151.33 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -153.59 172.37 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -167.59 144.53 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -127.33 172.21 10.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.92 143.68 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -169.71 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.58 130.38 4.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -91.8 170.0 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -121.37 -176.93 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -147.73 168.49 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.76 172.39 7.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -140.69 154.41 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.7 pt -46.99 141.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 p -135.83 114.75 12.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.22 159.34 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 t -72.0 1.47 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.6 m -98.94 26.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.76 151.59 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 m 61.43 53.69 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 108' ' ' ASN . 14.4 m-20 -79.9 51.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.34 158.02 54.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.82 55.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -125.1 34.31 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.25 139.3 17.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.84 40.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HG2' ' CG2' ' A' ' 35' ' ' VAL . 53.5 Cg_endo -69.79 179.34 3.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -122.69 158.85 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 57.63 40.23 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 32' ' ' PRO . 77.0 t -84.19 99.92 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.9 t -139.24 158.31 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.52 131.95 54.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -108.6 161.97 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -112.92 95.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 44.3 t -68.77 -47.46 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 60.9 m-80 -160.88 -175.49 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -66.14 -39.28 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -113.97 29.15 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -150.85 145.83 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -149.54 142.25 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.19 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -108.48 128.96 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.2 126.67 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.8 p -128.54 172.94 10.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CH2' HD12 ' A' ' 66' ' ' ILE . 46.2 p90 -168.86 155.15 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.82 158.81 44.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 149.45 66.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.51 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -38.98 -53.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.05 -72.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 p -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.1 96.68 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -114.44 33.16 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.36 148.74 18.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -69.81 109.13 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.483 HG23 ' CZ ' ' A' ' 64' ' ' TYR . 64.2 mt -70.41 119.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.9 p -92.45 -39.18 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.6 -159.34 9.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 63' ' ' GLY . 32.4 m-85 -148.81 145.09 27.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -99.62 151.12 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 HD12 ' CH2' ' A' ' 49' ' ' TRP . 10.8 mt -134.54 109.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -99.87 121.58 41.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 6.0 p-80 -122.33 127.83 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -137.69 151.97 48.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -100.65 152.85 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.0 t -82.57 -39.59 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.7 m -49.92 -44.33 50.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.48 162.1 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -95.19 126.26 40.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.77 146.09 5.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -120.76 143.25 48.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.97 124.62 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.56 138.6 31.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.1 m -159.78 113.77 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' CD1' ' HD3' ' A' ' 82' ' ' PRO . 3.7 pp -118.16 137.97 52.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.9 101.61 51.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD3' ' CD1' ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.77 -30.08 22.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -43.36 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 53.5 m-80 -141.87 -178.98 5.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.483 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 mt -91.69 43.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.6 p-90 -154.39 146.73 23.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.717 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 2.9 t80 -140.1 122.11 15.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 90' ' ' THR . 1.6 tm? -101.32 107.74 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.717 ' CE1' ' CD1' ' A' ' 87' ' ' TYR . 86.9 m-85 -89.68 150.73 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 88' ' ' LEU . 22.8 p -152.4 148.9 28.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 20.65 8.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.2 173.71 9.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -109.98 153.93 23.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.54 166.23 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 41.12 70.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 p -153.03 179.93 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.49 120.02 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -120.6 138.82 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.2 m -106.05 160.55 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -147.82 173.6 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -162.56 140.48 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 103' ' ' SER . 42.5 t -127.56 138.2 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 102' ' ' VAL . 8.0 t -145.13 134.67 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -77.11 124.83 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.2 mtm -102.38 144.72 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -127.57 167.58 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.22 -15.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 52.4 m-80 -88.53 -60.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.49 -150.34 6.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.96 128.52 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.98 -171.24 19.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.4 57.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 128.11 15.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 p -61.0 178.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -54.81 142.09 30.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -79.25 92.67 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.404 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 91.2 m-85 -80.72 163.17 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.021 0.439 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 49.1 m -145.66 140.6 27.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.57 131.41 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.73 125.66 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.3 p -63.98 143.89 98.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 108.81 2.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -37.32 -41.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.65 177.27 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.814 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -148.69 167.29 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.07 153.7 7.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -174.69 119.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -124.68 -61.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.45 -135.87 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.46 117.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -124.62 -175.25 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -92.77 -60.83 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.36 83.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.67 -158.84 11.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.1 t -140.35 150.51 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.0 m -128.36 152.48 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -140.62 122.75 15.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.4 166.78 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -110.61 172.07 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 mt -104.53 135.43 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.4 p -100.0 -179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.97 116.48 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -107.05 39.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 141.41 42.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.68 106.89 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -56.3 166.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' CG ' ' OD1' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -94.73 -32.08 13.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.14 157.21 2.32 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.5 Cg_endo -69.76 139.81 41.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -113.67 43.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.8 4.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 143.49 50.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -95.72 160.8 14.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.81 54.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.524 HG12 ' CE1' ' A' ' 117' ' ' TYR . 90.3 t -105.73 82.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -124.09 156.25 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.4 mt -104.82 135.25 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.0 t -66.63 98.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.75 -50.07 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -155.43 -175.22 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -65.04 -34.61 78.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -119.23 31.63 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -154.97 139.21 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -142.56 125.37 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -91.2 132.1 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.51 118.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 t -123.27 169.0 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 86' ' ' TRP . 40.9 p90 -164.43 164.01 22.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.4 mt -129.53 156.22 78.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 160.53 49.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.53 27.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.38 12.76 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 p -68.49 147.73 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.08 -63.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -59.81 -24.22 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.727 0.299 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.56 121.43 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -110.39 -50.95 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.66 158.69 14.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -70.73 105.25 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.1 mt -50.61 120.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -101.41 -6.81 23.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.05 -165.4 38.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 46.0 m-85 -144.4 139.78 28.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -89.18 130.98 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.5 mt -123.52 104.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtt-85 -101.03 121.09 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -113.6 118.32 34.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.1 ttt-85 -119.09 148.8 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 74.1 tttt -107.22 157.99 17.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -82.18 7.86 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.1 m -121.67 -57.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -69.09 142.17 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -102.46 87.22 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.41 164.49 34.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.536 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.25 103.09 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt -101.57 154.44 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.86 165.84 24.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 m -160.75 113.95 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 64' ' ' TYR . 11.2 mt -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tp10 -133.68 101.65 12.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -21.62 33.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.412 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 81' ' ' GLU . 27.8 m120 -44.54 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -147.73 -177.94 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 3.8 mt -83.72 34.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 42.1 p-90 -147.02 143.58 28.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.76 117.62 14.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -96.01 107.22 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -88.89 145.79 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 p -142.33 160.45 40.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.08 48.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -81.82 150.65 27.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.28 135.83 38.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -70.39 150.08 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.02 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -150.85 163.28 39.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' A' ' 118' ' ' THR . 31.7 tt0 -110.0 133.35 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -133.96 145.48 49.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.595 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 3.8 m -114.24 159.43 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 99' ' ' SER . 15.1 m-85 -154.34 155.01 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -149.89 122.86 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 103' ' ' SER . 93.0 t -97.9 144.06 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 102' ' ' VAL . 77.5 p -151.44 138.13 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -88.47 118.04 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 40.0 mtm -98.15 144.94 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.0 p -125.98 177.98 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.26 -13.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 10.0 m-80 -93.11 -68.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -161.08 -150.15 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 m -109.31 125.31 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.133 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.455 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.15 -164.86 0.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.3 44.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.27 32.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.3 p -81.04 157.06 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 11.8 m120 -43.09 135.65 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -76.16 94.17 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 49.3 m-85 -85.42 150.29 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 119' ' ' ALA . 87.0 m -128.05 146.6 50.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.412 ' N ' HG21 ' A' ' 118' ' ' THR . . . -137.63 130.32 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -102.24 135.8 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -84.3 142.48 40.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.538 0.685 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.3 -39.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -164.48 148.09 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -165.55 172.41 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 178.52 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -169.32 136.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -160.09 174.12 14.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.26 129.88 1.08 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.37 126.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ttm105 -173.05 117.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -153.49 176.23 12.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.26 71.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.7 97.86 0.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.79 134.25 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -158.78 113.21 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 m -119.87 124.31 45.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.86 105.68 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -106.11 134.31 49.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -134.49 174.3 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -148.83 166.35 28.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.44 122.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.47 84.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.17 0.16 16.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mp -94.85 111.5 23.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.9 p -161.79 175.18 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.33 37.28 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.8 157.84 70.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.1 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.218 . . . . 0.0 112.376 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 m -90.72 11.4 22.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.93 140.29 37.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.42 18.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -133.18 149.9 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 68.04 50.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 117' ' ' TYR . 59.9 t -96.84 91.15 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.7 t -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD22 ' CD1' ' A' ' 100' ' ' PHE . 26.4 mt -120.09 128.84 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -112.56 127.43 56.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 122' ' ' PRO . 47.3 t -85.37 111.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 85.6 t -91.82 -36.29 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 81.2 m-20 -162.88 176.55 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.4 p -72.04 -11.6 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -130.94 0.49 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -131.34 150.36 52.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.7 mt -153.08 136.21 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -97.54 135.69 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.1 117.99 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 p -117.66 166.27 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 49.1 p90 -168.88 147.89 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.4 mm? -114.12 157.36 42.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.59 56.47 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 131.04 20.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' PRO . 13.1 m -37.74 -33.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.53 -79.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.2 p -57.97 -25.47 61.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.8 tt0 -36.36 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -56.37 -43.83 79.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.63 -170.9 25.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.62 96.66 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.512 HG23 ' CE1' ' A' ' 64' ' ' TYR . 3.6 mp -42.35 112.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -84.17 -46.99 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.29 179.89 26.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 39.4 m-85 -127.65 146.25 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -107.23 123.88 48.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.21 107.32 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -106.75 120.32 41.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -121.12 125.35 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -115.03 169.27 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.491 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 13.9 tptm -119.97 131.69 55.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.9 p -63.61 -51.92 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -66.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 129.88 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -82.01 90.7 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.62 155.19 26.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -131.92 149.71 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.1 tpt -149.1 118.01 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.5 pp20? -93.43 153.25 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.1 m -157.78 133.88 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 pp -127.04 137.5 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -133.1 101.56 13.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.682 0.753 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.6 31.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -54.72 -60.67 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -140.6 -179.86 6.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.79 24.2 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -136.96 143.77 43.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.431 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 1.5 t80 -141.19 114.03 8.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tp -92.83 132.71 36.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 26.6 m-85 -114.79 118.05 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.4 p -117.68 152.18 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 43.03 3.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -105.88 169.58 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.85 143.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -79.47 141.16 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.24 41.01 80.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 168.6 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' CG ' ' CG2' ' A' ' 118' ' ' THR . 22.6 tt0 -103.92 154.26 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.491 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 90.4 m-85 -154.35 132.84 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -111.17 148.29 33.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' CD1' HD22 ' A' ' 37' ' ' LEU . 87.8 m-85 -134.75 158.02 45.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 114' ' ' SER . 1.5 tp-100 -146.87 141.99 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.519 HG13 ' CG ' ' A' ' 49' ' ' TRP . 15.7 t -129.33 128.69 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -133.21 133.02 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.77 117.82 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.2 mtm -100.65 149.87 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.6 p -126.05 -177.88 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.21 -5.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -104.0 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.38 -149.05 4.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -125.29 147.09 49.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.33 179.09 53.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.44 57.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.7 7.43 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.486 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 1.0 OUTLIER -63.77 178.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 17.5 m-20 -56.64 131.1 47.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -65.67 118.62 9.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 80.6 m-85 -102.16 136.3 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' CG ' ' A' ' 97' ' ' GLN . 21.2 m -121.16 140.26 52.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.29 131.84 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.92 148.88 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.1 p -96.47 145.85 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.412 ' HD3' ' CG1' ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.79 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -44.11 -36.69 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -159.16 141.0 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -167.09 160.65 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.78 176.54 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 14.8 t -127.99 89.41 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.4 t -35.74 -62.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . 58.46 160.94 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 8.0 m120 -172.75 110.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -89.03 -175.67 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -132.34 -179.41 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.15 79.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -169.77 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.291 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.57 141.82 13.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -99.26 162.43 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -174.61 133.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.9 p -85.28 -66.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -168.82 178.23 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.62 118.83 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 pp -96.78 139.8 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -132.1 141.73 49.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.01 96.83 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -107.07 78.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 m -114.26 14.62 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -134.75 172.92 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 61.01 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.411 ' HB3' ' CG ' ' A' ' 108' ' ' ASN . 47.5 m-20 -100.23 29.78 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.17 160.45 57.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 175.76 7.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -133.42 21.87 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.84 140.5 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.47 18.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.36 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.22 157.42 34.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.4 t30 61.09 48.28 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.48 89.77 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -142.44 155.79 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 119' ' ' ALA . 83.1 mt -101.61 138.95 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -128.1 106.36 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.15 125.82 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 36.0 t -107.89 -40.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.7 OUTLIER -141.49 163.56 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -63.67 -16.73 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -129.22 16.86 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -144.59 138.07 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.4 mt -145.22 140.07 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -106.59 139.44 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.39 117.24 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -114.37 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.588 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 48.2 p90 -170.97 178.92 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.5 mt -150.03 157.31 37.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.65 68.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.37 19.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.77 124.8 11.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' PRO . 47.8 m -35.37 140.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.36 -40.28 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.8 p -89.76 -23.8 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -94.33 56.6 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -59.26 -12.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' PHE . . . -109.82 122.53 6.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLY . 11.9 t80 -36.3 136.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -79.31 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -110.01 -41.43 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -177.8 -154.49 12.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 15.8 m-85 -143.82 136.79 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.908 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -93.64 118.92 32.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.568 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 16.9 mt -108.14 109.84 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -105.1 114.6 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.547 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 14.1 p-80 -115.25 147.75 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -169.12 163.26 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' CE ' ' CE1' ' A' ' 98' ' ' TYR . 24.4 ttmt -98.42 140.49 32.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 t -52.0 -45.6 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.4 p -87.65 -71.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 79.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 156.64 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.41 56.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.49 128.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.546 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.9 mmt -130.15 119.41 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.67 134.06 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.495 HG21 ' CE2' ' A' ' 87' ' ' TYR . 30.9 m -159.43 109.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -115.78 141.49 48.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -126.13 113.28 23.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.1 Cg_endo -69.76 -38.97 7.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' PRO . 67.3 m-80 -36.41 -66.4 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -135.27 -177.26 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.539 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.9 mt -97.23 17.65 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -127.26 143.81 51.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.495 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.6 t80 -138.89 116.72 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -93.54 107.36 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.962 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' N ' HD11 ' A' ' 88' ' ' LEU . 97.2 m-85 -84.8 148.51 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -145.82 135.13 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.99 32.12 1.93 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.2 mt -96.48 -179.62 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -99.7 173.57 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -99.83 163.33 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 35.5 58.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -139.81 173.53 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -115.63 134.25 55.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.584 ' CE1' ' CE ' ' A' ' 70' ' ' LYS . 7.5 m-85 -130.44 164.92 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 24.7 m -138.7 157.98 45.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.553 ' CD1' ' C ' ' A' ' 99' ' ' SER . 34.3 m-85 -152.53 176.6 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' CD1' ' A' ' 116' ' ' TRP . 21.0 tt0 -165.22 141.09 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.1 t -119.33 132.8 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -134.45 131.86 38.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.78 119.02 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.3 mtm -94.76 132.72 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 p -107.43 -175.93 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.84 -10.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.411 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 5.7 t-20 -99.57 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.53 -156.57 8.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 m -87.43 127.66 35.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.76 -160.59 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.56 25.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.428 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 79.5 p -65.97 179.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -62.24 135.96 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.583 ' CD1' ' NE2' ' A' ' 101' ' ' GLN . 48.9 m95 -73.36 95.35 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -75.98 145.42 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 86.7 m -119.79 135.43 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.455 ' CB ' HD12 ' A' ' 37' ' ' LEU . . . -125.31 131.79 52.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -104.39 120.33 40.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.8 p -70.16 143.9 91.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.524 0.678 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -49.23 -29.82 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -170.39 110.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -120.58 165.21 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.19 -160.65 8.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -174.9 176.06 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -172.49 177.57 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 -178.43 41.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -169.92 -179.13 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.67 133.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -143.6 166.81 23.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.01 84.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.12 2.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.76 144.63 16.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.56 138.51 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 p -150.27 165.01 34.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -97.76 -48.71 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 47.14 39.45 8.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.6 116.01 31.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 ' H ' ' CD1' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -126.1 148.67 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -135.07 124.62 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 m -59.18 165.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.5 t -111.26 90.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t -137.33 147.19 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.4 135.16 45.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -114.56 -175.03 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.469 ' HB3' ' ND2' ' A' ' 108' ' ' ASN . 27.9 m-20 -47.8 -42.6 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 152.52 0.81 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.8 157.13 61.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 8.79 11.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.98 132.43 24.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 168.63 20.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.24 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.7 172.47 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.47 ' CB ' HD13 ' A' ' 50' ' ' LEU . 42.9 t30 50.44 37.2 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 117' ' ' TYR . 98.9 t -83.88 90.74 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -135.98 168.03 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD2' HG22 ' A' ' 47' ' ' VAL . 19.6 mt -123.82 147.18 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.87 106.76 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.35 109.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.76 -45.91 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -147.87 -178.93 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -78.61 -13.56 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -129.05 4.48 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -139.24 133.15 30.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.8 mt -137.6 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -97.74 136.41 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG22 ' CD2' ' A' ' 37' ' ' LEU . 53.8 t -130.6 118.64 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -120.31 163.65 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 48.6 p90 -157.29 -178.87 7.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 34' ' ' ASN . 35.0 mt -149.52 157.57 38.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 160.67 48.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -53.66 165.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . . . 77.01 -80.9 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' GLY . 10.2 p -35.82 -36.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.4 114.78 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.87 -50.11 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.08 171.69 15.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -80.75 107.93 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 77.7 mt -57.03 128.37 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -106.96 -43.48 4.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -151.0 -148.88 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 63' ' ' GLY . 53.6 m-85 -153.74 165.67 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -125.39 130.28 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.8 112.54 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -101.61 112.33 24.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -123.89 136.61 54.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -146.24 147.79 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 18.3 tptp -90.09 132.87 35.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.0 t -42.92 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' LYS . 8.8 t -160.85 159.6 30.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -46.39 -63.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 13.6 mtp-105 -136.3 130.46 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.16 49.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -80.7 171.95 14.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.2 tpt -172.15 134.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.2 pp20? -112.5 152.34 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -157.7 118.3 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 pp -107.99 137.43 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.2 tt0 -132.72 101.6 14.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.4 Cg_endo -69.78 -21.41 33.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -44.84 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -128.48 171.55 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 23.9 mt -84.01 16.51 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -141.76 154.68 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.473 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.2 t80 -134.12 120.09 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -97.41 108.09 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.6 m-85 -90.5 145.56 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p -137.62 138.77 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.94 50.37 2.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.0 mt -106.1 161.24 14.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.756 0.312 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.0 142.44 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -77.72 156.71 30.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.91 59.62 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 m -142.07 161.69 37.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -90.43 142.22 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.6 m-85 -148.09 121.88 9.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -105.38 135.75 46.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -125.24 147.13 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.639 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 17.3 tt0 -139.32 141.32 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 103' ' ' SER . 46.6 t -123.71 145.18 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.447 ' N ' HG11 ' A' ' 102' ' ' VAL . 4.8 p -144.29 138.03 27.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.26 132.72 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 30.3 mtm -109.82 131.29 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.6 p -116.05 158.44 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -39.45 -30.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 26' ' ' ASP . 90.7 m-20 -70.03 -74.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.61 -130.15 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -122.23 119.47 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.456 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.95 165.2 34.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.409 ' CB ' ' OE1' ' A' ' 101' ' ' GLN . 54.2 Cg_endo -69.72 -175.18 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.6 p -120.27 172.97 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 8.1 m-20 -41.56 135.84 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.639 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 62.8 m95 -67.03 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 35' ' ' VAL . 94.8 m-85 -79.32 141.37 37.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -126.44 146.01 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.37 131.75 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -95.17 137.05 34.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.2 p -85.34 147.49 47.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 113.36 3.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.425 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -41.92 -35.02 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -125.95 141.64 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -167.12 164.67 15.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 118.4 14.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -43.31 -62.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -171.34 132.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.81 135.29 8.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.51 150.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -175.04 140.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -110.56 139.57 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.9 93.94 1.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 166.36 27.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 172.52 31.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.76 135.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -152.95 157.84 41.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -82.2 155.32 24.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -113.56 177.7 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -140.19 178.45 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 pt -93.6 165.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 p -116.32 173.27 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.9 144.81 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.3 49.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -109.16 169.17 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -134.8 124.42 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -130.28 163.02 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.49 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 1.8 m-20 -71.66 -43.08 66.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ASP . 22.6 m -36.82 152.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 165.66 30.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -120.19 -34.35 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.92 136.79 30.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 53.8 Cg_endo -69.78 168.96 20.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.464 ' NE2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mp0 -118.56 172.47 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 50' ' ' LEU . 4.1 m-80 49.81 41.79 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG12 ' CE1' ' A' ' 117' ' ' TYR . 97.0 t -92.0 83.19 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -127.31 149.9 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.55 132.14 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -105.82 148.44 27.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.1 t -106.99 100.07 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.39 -47.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -146.83 -176.35 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p -82.82 -20.06 36.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -109.7 -19.04 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -117.51 155.9 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.8 mt -150.45 135.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -99.05 134.49 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -131.75 117.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.7 p -120.95 172.9 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.516 ' CZ2' ' HA ' ' A' ' 85' ' ' LEU . 48.9 p90 -173.4 170.05 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD11 ' ND2' ' A' ' 34' ' ' ASN . 86.1 mt -131.38 153.79 81.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.7 52.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 160.05 51.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD3' ' NE2' ' A' ' 33' ' ' GLN . 53.7 Cg_endo -69.79 143.52 50.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.2 t -34.32 -43.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.44 -49.44 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 t -114.56 51.35 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 111.079 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -120.2 41.88 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 26' ' ' ASP . 16.6 p-10 -59.82 -40.74 89.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.2 143.1 16.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.76 116.34 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 mt -59.71 133.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.0 p -120.22 -41.21 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.92 -172.07 22.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 14.7 m-85 -139.09 147.62 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.905 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -109.05 114.26 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.5 mt -101.61 129.32 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -118.8 113.15 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.96 119.3 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 6.8 ttt180 -121.24 149.3 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HE2' ' CE1' ' A' ' 98' ' ' TYR . 26.1 tptp -107.97 150.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 t -85.21 16.62 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 72' ' ' THR . 3.1 t -96.37 39.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' THR . 16.4 mmm180 36.29 53.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' CG ' HG23 ' A' ' 72' ' ' THR . 0.0 OUTLIER -115.51 -21.48 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.79 -156.14 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 69' ' ' ARG . 8.9 tt0 -137.97 131.11 30.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 mtp -106.83 144.82 32.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.29 141.85 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.407 HG23 ' CE2' ' A' ' 87' ' ' TYR . 32.7 m -158.34 138.7 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.14 150.8 47.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -134.28 101.77 12.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.0 Cg_endo -69.76 -30.07 22.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' PRO . 32.0 m120 -38.15 -65.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -148.82 -179.7 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 30.9 mt -83.48 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -152.83 142.83 22.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 2.7 t80 -133.63 117.89 17.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.66 118.23 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 87' ' ' TYR . 94.5 m-85 -102.72 149.39 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.3 p -142.39 152.68 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.01 64.78 2.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.0 mt -124.12 155.78 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.33 133.2 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -78.95 145.0 34.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.35 50.74 63.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -139.71 160.12 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -99.35 133.81 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.546 ' CE1' ' HE2' ' A' ' 70' ' ' LYS . 26.8 m-85 -127.27 151.72 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -118.56 138.95 52.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.01 163.66 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -159.62 140.17 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.8 t -115.05 143.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.5 m -140.58 133.52 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.46 113.44 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.438 ' HE1' ' CA ' ' A' ' 64' ' ' TYR . 69.4 mtm -91.8 134.96 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.8 p -123.75 163.77 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.8 p -43.44 -37.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.472 ' ND2' ' CB ' ' A' ' 26' ' ' ASP . 7.5 m120 -69.76 -47.5 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.49 -179.52 40.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.0 m -64.61 133.4 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.17 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -76.94 -170.03 32.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.58 40.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.218 . . . . 0.0 112.409 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 7.2 t -58.95 165.21 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -47.79 159.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -94.7 95.14 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.571 ' CE1' HG12 ' A' ' 35' ' ' VAL . 74.9 m-85 -81.56 146.14 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -120.9 138.76 53.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.19 134.19 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -108.2 125.67 51.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -82.01 144.7 51.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 111.12 2.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -39.32 -41.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 124' ' ' ASN . 13.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -156.26 -175.83 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -146.82 174.9 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.17 -156.76 7.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -153.89 179.52 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -162.6 -179.99 7.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . -124.85 -160.74 10.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 32.9 m120 -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -150.46 -175.86 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -170.42 178.08 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.15 89.25 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -177.8 2.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' C ' HG22 ' A' ' 14' ' ' VAL . . . -147.24 163.23 28.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 13' ' ' GLY . 56.5 t -152.95 118.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -153.75 132.28 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 178.55 7.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -148.51 170.47 17.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.92 150.44 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.3 pt -135.19 141.05 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -140.36 163.07 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -164.38 146.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.56 54.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -53.0 153.5 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 24' ' ' LEU . 5.3 mp -112.5 155.16 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p -166.86 -178.19 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.0 33.3 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -84.71 152.64 60.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 111.095 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 m -123.24 -14.25 7.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.68 143.18 30.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.53 18.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -131.16 161.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.6 t30 57.28 45.86 19.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 117' ' ' TYR . 47.8 t -91.42 94.97 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 m -144.67 166.19 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 mt -118.18 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.23 130.4 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' ' HD3' ' A' ' 122' ' ' PRO . 99.6 t -96.25 103.58 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -86.02 -47.26 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -143.8 -178.64 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -76.93 -22.11 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -120.69 -2.0 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 m -125.53 129.09 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mt -130.43 141.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 12.4 tptm -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.1 118.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 166.57 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.47 ' NE1' ' HB3' ' A' ' 85' ' ' LEU . 47.1 p90 -170.08 174.85 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' CD2' ' HD2' ' A' ' 51' ' ' PRO . 14.4 mt -138.5 158.95 69.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 53.3 Cg_endo -69.85 154.64 67.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.403 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.77 168.28 22.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.68 131.33 21.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' PRO . 23.1 m -36.25 -36.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.49 -77.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.1 t -71.87 -41.27 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.164 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -39.29 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -116.87 72.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.26 125.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 100.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 50.0 mt -54.94 123.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.2 p -91.79 -45.43 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.59 -164.93 14.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 60.4 m-85 -138.5 145.12 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.73 140.69 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.442 HD12 ' CH2' ' A' ' 49' ' ' TRP . 14.5 mt -137.47 106.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -105.17 144.22 32.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 47.7 p-80 -126.14 159.56 32.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -166.66 155.12 10.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 3.7 tppt? -107.28 140.34 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 72' ' ' THR . 8.9 t -49.27 -49.93 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.462 ' N ' HG23 ' A' ' 71' ' ' THR . 0.9 OUTLIER -96.25 58.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -166.03 153.25 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -113.76 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.33 164.94 11.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -150.28 117.47 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.401 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 73.5 mtp -107.7 173.61 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.67 163.7 32.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.413 HG21 ' CE2' ' A' ' 87' ' ' TYR . 99.2 m -159.86 109.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' CE ' ' A' ' 105' ' ' MET . 10.1 mt -85.45 136.91 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -134.99 101.11 11.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.681 0.753 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.6 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PRO . 35.2 m-80 -34.42 -71.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.497 ' HB2' ' CD1' ' A' ' 86' ' ' TRP . 54.6 m-80 -153.12 -177.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -84.62 31.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' A' ' 84' ' ' ASN . 62.0 p-90 -141.9 144.51 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.413 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.8 t80 -138.67 123.53 18.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.4 OUTLIER -106.53 105.45 15.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -87.91 150.33 23.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.3 p -143.04 137.2 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 57.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.07 170.04 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.4 155.21 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.5 pttt -87.47 172.02 10.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 36.27 33.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 94' ' ' LYS . 11.1 p -113.06 166.54 11.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -109.99 145.9 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -149.47 158.73 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -136.79 137.42 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -131.83 162.33 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.497 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 3.6 pt20 -149.37 165.61 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.0 t -136.95 133.55 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -128.6 117.87 21.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 105.19 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 80' ' ' LEU . 21.4 mtm -87.48 138.56 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.5 p -124.34 -177.51 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.99 -13.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.46 -70.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.77 -145.0 4.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.3 144.89 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.79 -167.72 43.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.41 13.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 115' ' ' ASN . 15.5 t -50.02 168.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' N ' ' HG ' ' A' ' 114' ' ' SER . 67.8 m-20 -49.24 148.51 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 40.0 m95 -75.83 98.83 4.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.57 ' CE2' HG11 ' A' ' 35' ' ' VAL . 63.0 m-85 -81.5 153.28 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 82.1 m -138.94 131.34 28.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -118.38 128.11 54.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.34 124.13 38.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 48.0 p -71.91 136.31 82.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HD3' ' CG1' ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.71 -35.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -174.42 125.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -174.89 166.6 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.84 129.42 1.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -174.91 117.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.374 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -174.76 178.2 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.58 -154.61 10.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.58 155.38 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -175.74 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -123.16 148.44 45.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.32 153.69 17.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -176.86 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.328 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.43 115.87 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.26 165.01 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.2 p -171.44 166.29 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -151.91 176.15 11.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -171.25 172.26 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.61 169.81 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 pt -127.72 148.35 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' VAL . 70.2 p -58.06 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' THR . 83.3 t -35.52 142.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -128.99 35.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.8 p -39.21 99.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 mt -154.1 177.43 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m 65.82 50.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.82 35.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.77 157.33 34.11 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 123.1 9.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -92.9 -38.77 11.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 141.56 68.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.693 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 164.5 34.23 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.51 68.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.4 t30 65.11 40.17 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.47 104.93 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -155.38 162.64 40.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 100' ' ' PHE . 13.7 mt -114.53 129.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.04 124.05 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -85.63 116.06 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t -94.6 -45.55 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -150.17 -179.17 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 p -73.39 -22.86 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -124.2 18.97 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -147.62 133.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -140.47 128.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -96.34 141.8 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.7 118.89 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.9 p -116.99 155.95 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.537 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 46.9 p90 -156.05 170.36 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.68 155.48 71.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.3 53.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.7 69.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -53.73 -23.8 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -51.91 -62.53 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' ASN . 14.3 t -85.05 -20.11 30.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 111.206 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -49.88 91.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -122.13 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.71 138.84 3.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -70.84 104.64 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.71 144.21 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 p -122.69 -22.2 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.94 -162.62 23.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.1 m-85 -149.39 143.95 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.961 0.41 . . . . 0.0 110.914 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -99.9 125.43 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.0 mt -121.73 107.04 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -100.55 131.88 46.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -134.71 154.92 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -170.65 179.11 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.56 152.75 24.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -58.67 -13.5 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -102.4 160.11 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -55.47 109.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -150.16 140.85 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.9 107.86 0.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -44.84 136.01 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 tpt -121.45 109.05 14.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.96 143.87 26.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -152.52 139.15 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -135.57 139.08 43.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -132.57 101.53 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.7 Cg_endo -69.74 -26.64 27.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.388 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 22.0 m-80 -37.45 -66.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.444 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 47.5 m-80 -136.14 -175.74 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.678 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.6 mt -97.17 21.04 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.444 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 68.1 p-90 -134.38 146.8 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.772 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 2.7 t80 -133.67 128.11 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.42 ' CD1' ' CG2' ' A' ' 90' ' ' THR . 3.2 tm? -106.6 107.41 18.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.772 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.3 m-85 -98.34 144.36 27.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 88' ' ' LEU . 13.9 p -144.38 150.96 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.04 58.72 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.59 159.47 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.61 123.94 28.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -56.95 143.54 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 62.7 70.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -156.41 171.67 19.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -113.02 139.58 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -136.84 150.38 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -108.47 159.18 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 37' ' ' LEU . 85.6 m-85 -150.55 170.45 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 102' ' ' VAL . 8.5 tt0 -169.97 150.07 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' A' ' 49' ' ' TRP . 48.2 t -133.37 145.93 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -154.03 120.85 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 124.86 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.404 ' HG2' ' CG2' ' A' ' 110' ' ' THR . 36.7 mtm -103.7 130.34 51.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -111.86 172.58 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.28 -31.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -73.66 -53.38 10.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.18 -168.79 38.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 105' ' ' MET . 3.5 m -98.9 160.96 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.32 -177.4 24.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.55 65.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 135.69 30.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.9 p -77.86 166.28 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -46.93 131.26 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -67.84 100.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -81.71 132.3 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.62 147.03 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.85 127.4 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -100.67 113.95 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.95 144.29 99.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.172 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 140.64 43.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.57 -23.06 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -158.95 166.88 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -172.83 134.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.5 -167.26 13.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -173.58 147.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -173.92 137.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.24 123.57 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -173.72 118.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -129.85 140.81 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -173.93 137.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.99 84.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -167.74 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.66 98.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.88 128.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.7 p -172.86 141.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -101.0 172.11 7.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -126.03 137.04 53.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -130.4 94.46 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 pt -139.2 148.71 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.11 151.49 28.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.0 t -130.93 103.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.35 42.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 m -136.15 161.74 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 mt -93.88 110.68 22.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 m -120.1 178.34 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 -29.54 8.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -37.89 155.29 0.11 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.625 0.726 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.54 38.07 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -114.43 43.53 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.93 134.21 8.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.575 0.703 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.03 7.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -114.05 167.2 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 45.98 51.34 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 117' ' ' TYR . 98.1 t -91.19 87.53 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -128.11 163.9 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.44 122.74 41.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -104.94 134.52 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -95.71 101.64 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -82.44 -48.0 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -143.94 -175.89 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.8 p -83.21 -18.57 38.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -118.37 -13.8 9.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 1.6 m -113.6 159.61 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 46' ' ' LYS . 11.4 mt -157.67 143.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 45' ' ' ILE . 18.2 tptp -110.22 126.17 53.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.02 117.89 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.3 p -122.08 177.83 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CE2' ' O ' ' A' ' 85' ' ' LEU . 43.2 p90 -174.27 171.62 3.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -134.42 154.09 79.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 156.72 62.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 53.3 Cg_endo -69.81 170.0 17.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 150.3 68.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.4 p -57.35 -15.66 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.2 -34.71 45.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -97.22 -19.78 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 111.099 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 59.9 mt-30 -68.74 125.31 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -30.13 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.35 179.39 16.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -83.41 123.83 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.9 mm -63.11 118.72 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -101.9 -45.57 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -160.26 -171.51 26.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.657 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 6.7 m-85 -138.31 128.13 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.53 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.79 107.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -99.61 127.54 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -121.28 155.91 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -154.8 148.8 25.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -113.8 135.0 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 97' ' ' GLN . 35.9 p -44.11 -68.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.41 ' N ' ' OG1' ' A' ' 71' ' ' THR . 95.5 m -49.59 -56.15 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ARG . 3.1 ptm180 -120.32 104.23 9.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' GLY . 25.5 ptt180 -34.47 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' ARG . . . 33.47 40.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.1 120.39 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.563 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 1.9 ptt? -150.89 169.99 20.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -127.68 152.62 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 48.1 m -151.31 114.19 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 64' ' ' TYR . 11.7 mt -90.44 140.03 30.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.28 101.37 12.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.9 Cg_endo -69.72 -39.1 6.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' PRO . 11.6 m120 -34.34 -70.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.84 176.65 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.4 mt -88.44 31.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 67.6 p-90 -148.66 150.65 33.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -136.07 110.91 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.81 124.2 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.46 152.63 21.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -148.42 158.19 43.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.85 50.99 3.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -114.15 152.48 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -77.17 125.84 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -64.55 133.52 52.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.44 47.86 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -141.33 155.37 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 7.0 tt0 -92.78 139.99 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -139.07 152.5 47.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 146.03 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -145.88 153.13 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.85 166.88 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.401 HG13 ' CG ' ' A' ' 49' ' ' TRP . 92.2 t -141.37 134.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -130.13 136.53 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.39 129.9 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 22.8 mtm -117.85 137.35 52.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.2 p -120.07 174.73 6.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -54.39 -23.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -78.66 -64.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.08 -138.08 2.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.8 m -124.79 134.4 52.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.83 -166.55 39.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.54 53.07 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 p -76.69 168.39 20.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -57.92 160.39 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -83.1 90.17 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.507 ' CE1' HG13 ' A' ' 35' ' ' VAL . 82.4 m-85 -79.93 127.26 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 119' ' ' ALA . 35.0 m -103.69 142.35 34.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 118' ' ' THR . . . -129.83 141.6 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -111.49 125.32 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 p -83.77 141.73 41.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.96 -37.63 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -158.57 175.73 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -141.78 174.38 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.15 -171.84 20.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -174.35 162.06 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -164.78 179.14 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.25 -179.05 17.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -157.9 169.78 23.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.2 ptp180 -147.54 172.36 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 45.5 m-85 -164.3 171.19 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.33 142.16 7.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 178.37 4.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.238 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.82 89.87 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -56.51 156.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -164.44 153.47 13.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t -165.35 123.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -115.16 91.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.94 94.17 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.7 pt -62.44 113.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.0 p -131.32 109.95 10.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.56 119.53 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 p -103.68 92.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 t -139.05 156.82 46.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.49 145.61 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -118.12 178.68 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' HB3' ' CG ' ' A' ' 108' ' ' ASN . 58.8 m-20 -118.66 46.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m -111.63 155.64 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 166.24 28.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.638 2.225 . . . . 0.0 112.367 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -127.47 32.66 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 124.51 2.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.6 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.63 49.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -109.5 178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.9 t30 50.42 44.61 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 117' ' ' TYR . 84.5 t -92.2 89.58 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.0 m -129.43 169.96 14.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 51.0 mt -118.79 136.34 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -125.49 106.63 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.3 t -73.79 97.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.453 HG12 ' ND2' ' A' ' 41' ' ' ASN . 94.8 t -68.8 -52.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.453 ' ND2' HG12 ' A' ' 40' ' ' VAL . 75.4 m-20 -148.0 178.53 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -64.1 -23.16 67.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -129.44 30.98 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -155.22 127.41 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.3 mt -137.16 122.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -98.62 126.79 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 61.6 t -116.38 121.35 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -113.68 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.616 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 34.1 p90 -170.71 174.59 4.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.1 mt -140.29 157.31 68.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.98 68.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.73 20.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 160.58 49.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -64.72 156.69 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.75 -38.82 3.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -85.17 -57.92 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.63 93.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -66.42 -58.66 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.61 139.26 14.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -54.95 114.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mp -57.36 123.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.9 p -89.37 -42.83 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.1 179.61 23.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 20.1 m-85 -126.55 147.05 49.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.952 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 66' ' ' ILE . 23.3 tttt -102.15 152.47 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 65' ' ' LYS . 15.2 mt -139.99 135.4 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -121.83 122.2 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.406 ' C ' ' CG ' ' A' ' 69' ' ' ARG . 1.3 p-80 -113.33 144.81 42.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 13.6 mtp180 -157.22 158.6 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 9.7 tttm -116.91 145.66 43.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 t -48.89 -28.02 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 72' ' ' THR . 10.1 t -128.29 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -168.62 148.6 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -122.64 62.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 64.04 0.27 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.479 ' HG2' ' NE ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -64.45 115.23 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 tpt -123.54 152.41 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.19 162.94 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 m -158.69 141.86 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 pp -119.07 156.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -134.21 101.84 12.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.8 Cg_endo -69.77 -12.62 33.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.228 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -59.53 -75.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -142.43 -175.03 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . 2.8 mt -87.65 38.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 86' ' ' TRP . 43.0 p-90 -151.89 134.54 15.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 1.8 t80 -123.5 115.0 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -95.96 104.37 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 58.1 m-85 -91.08 147.2 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.3 p -142.39 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 44.67 24.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.8 mt -95.48 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -85.17 116.53 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -56.79 164.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.67 51.94 36.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -156.28 153.04 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 20.5 tt0 -95.09 155.97 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 61.8 m-85 -151.55 146.79 26.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.4 m -112.17 162.65 15.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -154.36 134.42 13.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.564 ' NE2' ' NE1' ' A' ' 116' ' ' TRP . 34.6 tt0 -137.12 119.79 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.517 HG21 ' CE3' ' A' ' 49' ' ' TRP . 98.6 t -97.79 145.58 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 m -138.92 163.79 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.05 111.65 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.1 mtm -92.98 128.95 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -100.9 179.05 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.74 -11.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.419 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.7 m-80 -96.52 -72.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -157.51 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -98.18 125.83 43.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.78 178.92 23.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.71 43.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 150.82 68.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 73.8 p -97.97 177.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -44.02 147.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' NE1' ' NE2' ' A' ' 101' ' ' GLN . 44.8 m95 -90.08 99.63 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.566 ' CE1' HG13 ' A' ' 35' ' ' VAL . 23.4 m-85 -85.52 140.98 30.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 m -117.1 148.63 41.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -132.52 157.77 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -126.85 133.68 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.4 p -85.43 135.16 39.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.14 3.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -40.97 -41.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.7 169.47 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -101.76 117.38 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.42 128.37 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -146.42 166.56 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -132.54 -50.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.57 177.67 44.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -164.46 152.36 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ttm105 -170.08 142.91 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -152.26 178.84 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.45 82.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 172.45 12.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.27 152.71 23.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.97 -59.21 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -128.22 141.17 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -112.54 -42.34 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -174.29 117.66 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -141.02 117.57 10.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.3 pt -138.89 159.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -133.52 175.18 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.25 133.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 57.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -101.8 145.53 29.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.38 151.36 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -167.25 167.77 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -103.63 23.07 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.17 147.57 95.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.49 60.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 m -113.32 -27.1 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.34 125.86 75.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.31 42.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -114.7 168.07 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.5 t30 60.8 46.72 8.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.551 HG12 ' CE1' ' A' ' 117' ' ' TYR . 17.3 t -94.31 98.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -153.81 158.85 41.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 100' ' ' PHE . 62.5 mt -103.88 155.59 18.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -138.53 109.72 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.52 95.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 17.3 t -75.47 -52.15 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -149.5 177.07 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 p -62.19 -39.57 93.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.36 35.0 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -155.21 143.46 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.0 mt -146.63 141.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -112.05 130.61 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.2 t -125.81 128.15 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -127.69 165.92 19.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 37.2 p90 -159.69 173.93 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -143.73 155.98 59.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 155.62 65.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.57 67.21 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.6 p -51.12 169.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.87 -48.26 3.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -76.7 -40.54 48.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -40.27 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.38 68.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.29 176.19 14.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.37 119.57 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.76 87.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.1 p -51.76 -57.05 10.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.97 -161.41 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 40.2 m-85 -133.18 127.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' CE ' ' A' ' 105' ' ' MET . 0.6 OUTLIER -79.61 122.86 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 mt -117.85 107.13 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -112.38 128.53 56.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -128.19 131.39 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' HB3' ' CB ' ' A' ' 76' ' ' GLU . 8.3 ptt180 -135.24 141.98 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 71' ' ' THR . 1.3 ttpm? -101.81 150.37 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 70' ' ' LYS . 11.8 p -45.21 -59.72 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 p -98.07 176.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ARG . 5.1 tpt180 66.01 48.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -38.17 112.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.1 43.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.83 160.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.97 131.94 46.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -92.65 130.79 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -142.79 143.94 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -135.64 139.98 44.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.53 101.63 17.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -37.81 8.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -37.84 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -117.46 174.48 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.541 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.5 mt -100.65 20.97 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -140.5 146.38 38.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.72 117.35 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.3 tp -93.63 121.02 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -100.3 120.85 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -115.7 166.22 12.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.75 57.94 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.0 144.8 43.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -80.58 110.21 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -42.03 151.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.47 55.8 21.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -145.5 152.23 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 38.1 tt0 -102.91 111.53 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.55 152.14 29.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 m -124.77 162.43 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.415 ' CD1' HD22 ' A' ' 37' ' ' LEU . 40.8 m-85 -143.27 169.25 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.55 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 34.3 tt0 -161.21 147.19 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 103' ' ' SER . 40.9 t -137.93 142.42 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.424 ' N ' HG11 ' A' ' 102' ' ' VAL . 46.5 t -150.87 128.06 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.42 114.67 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.488 ' CE ' ' N ' ' A' ' 65' ' ' LYS . 11.8 ptp -112.58 144.98 41.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.8 p -116.17 -175.48 2.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.04 -22.06 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.33 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.25 -162.31 24.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.487 ' HA ' ' CB ' ' A' ' 105' ' ' MET . 0.2 OUTLIER -104.85 116.89 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.121 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.63 -172.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 144.26 53.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.441 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.4 p -80.59 169.69 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -43.02 145.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.55 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 40.9 m95 -84.71 102.22 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.551 ' CE1' HG12 ' A' ' 35' ' ' VAL . 58.8 m-85 -88.25 151.73 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.6 m -137.49 144.77 42.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.83 138.86 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -104.66 131.55 51.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.5 p -78.17 143.28 64.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.538 0.685 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.74 8.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.91 -40.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.2 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -168.06 161.29 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -160.45 169.32 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.75 -170.39 19.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -163.38 150.78 12.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -136.52 178.66 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.06 -169.42 11.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -159.86 167.95 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -154.34 147.72 25.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -138.85 153.46 48.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.47 147.46 18.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 172.85 11.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.18 99.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.3 p -163.82 140.85 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 t -164.95 131.63 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.4 p -113.17 148.57 35.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -160.9 142.1 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -173.25 134.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 pt -109.22 149.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -104.06 140.83 37.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' CG2' ' A' ' 23' ' ' THR . 57.7 t -131.05 138.92 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 10.7 p -83.69 55.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.45 ' CG2' HG12 ' A' ' 21' ' ' VAL . 68.6 p -65.86 99.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -147.76 138.48 23.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 p -148.16 149.48 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 19.3 p-10 -60.33 -37.13 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m -50.86 155.19 2.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.82 113.29 3.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m -76.97 -47.07 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.54 128.49 93.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.555 0.693 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.81 26.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.17 44.44 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.62 158.77 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 68.01 46.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG13 ' CE1' ' A' ' 117' ' ' TYR . 57.3 t -99.28 90.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 t -133.19 163.64 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.7 147.37 30.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -126.97 131.48 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -100.0 109.23 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.0 t -98.48 -44.55 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -148.93 -176.93 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.5 p -73.96 -39.03 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -112.01 30.54 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -153.43 131.26 11.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.5 mt -143.41 126.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.04 146.85 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.4 t -136.85 119.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -118.23 171.57 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.55 ' CZ3' HD13 ' A' ' 66' ' ' ILE . 49.2 p90 -169.46 164.77 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -133.66 154.43 80.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.78 20.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.07 69.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' GLY . 30.8 t -50.62 -54.36 23.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.34 -68.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.5 p -62.68 -47.22 84.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.314 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -38.13 99.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.67 35.92 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -177.47 38.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -103.13 105.25 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.65 131.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -117.18 -40.49 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.25 -162.2 12.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -144.92 154.54 42.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -117.04 124.14 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.55 HD13 ' CZ3' ' A' ' 49' ' ' TRP . 11.1 mt -112.31 114.64 47.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 67' ' ' ARG . 12.3 ttm105 -115.12 124.42 51.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -110.55 141.54 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.2 ttp180 -118.82 148.59 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 19.4 tptp -110.33 129.92 55.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -30.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' ARG . 82.8 p -70.59 -176.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' THR . 40.1 ttt180 -37.55 156.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -41.96 162.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.44 61.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -84.9 118.74 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -104.85 119.03 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -90.66 127.38 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -143.79 132.11 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 pp -124.65 142.37 51.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 4.0 tp10 -133.83 102.28 12.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.6 Cg_endo -69.79 -29.81 23.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -38.1 -65.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 57.4 m-80 -141.32 179.3 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.64 29.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 62.2 p-90 -141.03 141.4 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.555 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.0 t80 -134.07 118.09 17.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -95.92 109.27 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 72.4 m-85 -92.88 144.58 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.0 p -139.29 159.93 41.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.06 56.11 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.6 mt -113.62 164.28 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.5 150.12 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.35 147.77 25.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.42 42.53 95.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.6 m -131.0 -175.68 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.58 145.17 48.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -144.25 131.03 20.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 m -100.13 157.16 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -152.1 158.18 42.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -153.69 167.79 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.8 t -138.37 139.23 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.1 p -138.23 133.39 33.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 119.51 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 22.5 mtm -97.92 137.66 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.8 p -126.72 177.4 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -55.16 -17.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -88.28 -60.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.17 -126.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.3 m -132.01 144.72 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.183 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.5 -173.94 50.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.533 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.96 55.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.58 2.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASN . 98.3 p -49.55 161.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 81.5 m-20 -37.7 146.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -80.55 91.2 5.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.569 ' CE1' HG13 ' A' ' 35' ' ' VAL . 59.3 m-85 -79.72 146.26 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.5 m -134.23 149.54 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.46 131.96 20.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.86 126.97 38.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.0 p -74.7 143.28 78.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 124.04 10.69 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.16 -41.05 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -173.03 172.97 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -126.3 172.59 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 152.77 5.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.55 137.67 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -126.38 -177.55 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.47 171.61 23.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -165.25 173.89 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.1 ptm85 -173.53 123.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -162.55 174.98 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.77 91.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.23 4.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.51 110.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -143.6 117.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 t -145.23 153.74 41.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -144.36 171.23 14.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -167.15 119.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.46 117.86 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 pt -140.86 140.7 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 p -144.22 110.57 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.5 m -58.13 174.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -105.74 91.12 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -132.78 147.74 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.91 121.88 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 m -97.99 160.47 14.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . 1.7 m-20 -105.68 23.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.24 152.61 95.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.77 157.64 59.68 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 t -112.82 -16.38 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.66 123.59 38.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 169.79 18.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.02 69.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -104.22 174.17 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 44.87 50.73 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 92.9 t -99.23 85.74 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 160.59 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 mt -115.28 158.03 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.13 143.0 47.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.6 t -93.55 100.02 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -78.72 -46.28 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -157.62 178.86 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -70.37 -15.91 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -129.56 10.65 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 m -140.66 140.13 34.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -141.34 129.67 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -91.65 135.48 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -129.64 147.83 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -149.99 170.68 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.536 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 44.0 p90 -168.65 162.7 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -132.56 154.51 81.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.48 21.45 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.42 28.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -46.07 114.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.48 -9.02 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -125.79 5.24 7.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -107.08 43.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -37.79 -52.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.23 134.21 13.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.11 97.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.06 127.59 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -104.54 -43.68 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.54 -163.88 13.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 1.2 m-85 -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.981 0.42 . . . . 0.0 110.881 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.87 122.73 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 10.7 mt -110.15 119.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -120.82 142.26 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -138.46 154.63 48.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -145.91 148.56 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -103.35 140.3 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 p -49.73 -31.52 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -61.15 -176.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ARG . 45.2 mtp180 -40.93 152.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' ARG . 84.6 mtt180 -36.82 152.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.41 43.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.99 155.97 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.4 mmm -149.11 167.83 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -136.29 132.51 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.1 m -151.5 140.25 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp -124.41 152.16 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -136.16 104.67 9.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.03 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -42.9 -70.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -140.24 174.33 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.604 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -85.85 26.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -139.1 143.28 38.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 2.5 t80 -134.39 108.54 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -88.71 104.86 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 56.9 m-85 -85.99 145.08 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -142.39 157.93 44.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.5 45.9 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.17 175.92 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.16 151.77 21.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -91.04 164.03 14.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.01 38.59 89.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -131.99 172.93 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -122.27 112.19 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -113.37 157.01 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -132.88 164.08 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -144.28 166.53 24.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.596 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 8.9 tt0 -156.09 139.58 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.436 HG11 ' CG ' ' A' ' 49' ' ' TRP . 77.5 t -122.9 136.67 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.91 140.06 46.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.09 115.7 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 34.7 mtm -92.64 140.62 29.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.3 p -123.66 159.21 29.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -44.59 -23.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.423 ' CG ' ' HB2' ' A' ' 26' ' ' ASP . 57.0 m-80 -88.45 -72.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.45 -178.58 22.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -76.94 156.91 31.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.47 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -94.34 -176.83 38.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.1 52.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.8 Cg_endo -69.75 115.1 3.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -61.15 166.2 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -42.1 161.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.596 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 63.1 m95 -101.79 92.58 4.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.419 ' CZ ' ' O ' ' A' ' 35' ' ' VAL . 68.8 m-85 -81.34 119.54 23.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 m -97.47 136.53 37.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -123.93 130.69 53.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.91 126.4 44.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.6 p -78.42 146.74 70.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 108.17 2.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -39.93 -38.04 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -170.51 177.43 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 p -162.06 178.17 9.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.14 -166.55 13.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.3 p -173.13 172.63 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -173.16 174.13 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.05 169.45 28.1 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -166.71 173.6 9.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.16 154.06 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -128.3 -55.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 126.68 5.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.33 6.93 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.648 2.232 . . . . 0.0 112.31 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.99 124.27 3.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.62 167.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -173.0 127.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -147.49 116.98 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -172.77 121.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.89 172.01 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 20' ' ' THR . 74.6 mt -97.79 133.91 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 19' ' ' ILE . 24.9 p -144.34 154.58 43.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.8 t -136.97 112.08 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -96.24 46.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 t -46.6 143.81 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -130.15 46.27 2.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.3 p -150.1 150.66 32.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 64.8 m-20 -109.91 27.38 9.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 m -77.03 151.81 82.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.653 0.739 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.77 174.01 10.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -129.96 -3.29 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 131.42 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 164.84 33.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.76 26.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 50' ' ' LEU . 46.0 mt-30 -119.14 162.22 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.83 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -86.88 91.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -135.34 168.11 19.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.59 147.85 43.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -133.02 131.75 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.5 t -87.85 100.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.1 t -79.23 -44.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -152.93 -177.18 6.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 p -70.71 -25.01 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -125.88 16.96 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -140.46 132.09 27.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.84 133.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.36 141.2 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -141.44 132.14 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -130.21 -178.7 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.602 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 46.4 p90 -171.6 171.27 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' GLN . 47.7 mt -141.35 156.13 67.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 156.69 62.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 139.64 41.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.6 p -45.08 168.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -55.34 4.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 p -70.3 -41.13 73.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 73.7 mt-30 -37.56 135.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -105.26 -52.55 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.26 155.31 21.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.96 111.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -55.02 106.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.4 p -84.33 -35.83 22.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -162.29 -169.15 25.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 2.6 m-85 -137.95 136.87 37.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -94.71 116.46 28.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.13 116.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -111.3 130.62 55.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 100' ' ' PHE . 26.5 p80 -134.15 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.15 164.66 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.8 145.43 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 97' ' ' GLN . 2.8 p -59.79 163.11 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.7 m 40.35 29.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -145.74 111.16 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -76.63 129.71 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.04 148.8 7.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -131.45 136.68 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.6 mmm -99.62 118.01 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.88 126.24 35.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 m -142.77 138.82 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' CD1' ' HD3' ' A' ' 82' ' ' PRO . 4.5 pp -125.34 151.86 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -133.36 101.67 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD3' ' CD1' ' A' ' 80' ' ' LEU . 54.0 Cg_endo -69.77 -27.69 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -45.73 -69.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -132.0 -179.2 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 12.9 mt -89.93 27.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 41.6 p-90 -145.94 158.01 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -135.86 117.05 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.91 104.68 16.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 p -144.18 145.74 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.25 57.4 1.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.89 172.69 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -98.05 131.27 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -71.09 143.09 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.36 38.18 80.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -131.07 166.74 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 71' ' ' THR . 29.6 tt0 -113.35 130.96 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -134.99 145.35 48.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 p -122.31 156.72 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 94.3 m-85 -137.51 178.55 7.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -162.36 156.81 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 49' ' ' TRP . 46.2 t -135.46 142.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -145.39 136.61 24.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.74 104.1 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' ' 64' ' ' TYR . 48.6 mtm -88.57 121.42 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 159.0 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -45.56 -21.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 26' ' ' ASP . 37.6 m-20 -76.29 -45.45 32.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.48 -122.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.5 m -130.11 119.52 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.139 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -62.23 -178.27 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 148.28 64.23 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 144.4 54.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -88.8 177.9 6.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.487 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 34.2 m120 -56.81 155.49 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -94.29 91.33 6.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' A' ' 115' ' ' ASN . 95.8 m-85 -84.01 140.94 31.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.7 m -119.45 148.1 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.8 130.13 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -96.82 134.12 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -83.81 143.71 43.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -40.41 -42.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -164.24 157.92 18.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -174.59 169.66 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.98 175.26 44.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -174.12 173.32 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -174.68 178.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . 158.88 113.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 35.6 m120 -163.28 179.7 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -123.0 163.0 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -116.16 173.71 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.87 -158.83 19.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . . . 173.69 40.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' GLY . 60.7 t -35.62 106.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -95.41 164.22 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.4 p -145.11 151.86 39.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -94.14 151.57 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -149.46 173.54 13.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt 42.18 38.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.9 p -113.63 114.15 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -139.34 141.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 34.5 m -109.21 82.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 m -87.68 26.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -115.67 100.19 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -152.62 -175.07 5.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 108' ' ' ASN . 0.7 OUTLIER -109.32 65.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.69 157.16 76.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 170.62 16.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.285 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -128.99 11.04 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.15 122.04 19.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 166.28 28.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.1 69.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.758 2.306 . . . . 0.0 112.307 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.26 170.4 9.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 48.02 48.55 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.8 t -95.05 95.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -140.53 169.41 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' CD2' HG23 ' A' ' 47' ' ' VAL . 87.5 mt -116.32 159.15 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -148.98 119.85 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.9 t -90.81 110.47 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.8 -44.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.08 163.28 32.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -58.97 -24.67 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 25.16 6.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -147.78 123.09 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.1 mt -134.59 133.07 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 23.6 tttp -103.12 147.79 26.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG23 ' CD2' ' A' ' 37' ' ' LEU . 85.3 t -134.28 122.45 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.4 m -118.74 159.33 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CH2' ' CD1' ' A' ' 66' ' ' ILE . 44.8 p90 -156.16 141.72 17.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 50' ' ' LEU . 3.6 mm? -109.22 158.75 33.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.19 68.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 54.2 Cg_endo -69.74 168.91 20.16 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 t -43.71 140.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.47 -61.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ASN . 16.4 p -55.13 -52.48 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.189 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 81.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.0 t30 -76.95 58.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.77 43.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.21 108.14 20.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 79.3 mt -64.36 77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -26.43 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.11 -160.14 23.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -142.07 154.97 45.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -114.12 145.17 42.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.566 ' CD1' ' CH2' ' A' ' 49' ' ' TRP . 13.4 mt -126.02 104.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HB3' ' CG ' ' A' ' 101' ' ' GLN . 3.8 tpp85 -91.94 120.34 32.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 7.6 p-80 -125.08 165.5 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -162.38 166.45 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 19.3 tptm -110.53 148.52 31.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 97' ' ' GLN . 55.1 p -43.5 -33.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 t -51.93 152.16 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -52.38 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -100.06 104.83 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.59 50.77 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -104.77 112.99 26.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.489 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.1 mmt -120.15 158.03 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.21 147.96 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.4 m -157.04 135.39 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.61 144.78 46.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.58 101.63 11.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -29.82 23.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -39.1 -64.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -135.84 -175.69 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 64' ' ' TYR . 6.5 mt -97.26 24.2 6.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.409 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 61.3 p-90 -141.34 141.62 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -133.19 132.11 41.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 90' ' ' THR . 3.5 tm? -112.03 111.08 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -90.14 148.03 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 88' ' ' LEU . 76.6 p -145.04 136.78 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.88 36.87 1.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.78 172.93 7.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.58 139.37 32.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -74.59 143.8 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.6 47.95 78.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 m -143.61 167.83 21.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 24.6 tt0 -106.84 158.83 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.504 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 32.5 m-85 -153.73 140.52 19.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.8 m -107.69 148.07 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -147.21 167.35 24.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.475 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 1.7 pt20 -165.85 170.54 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 103' ' ' SER . 63.8 t -136.79 138.22 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.447 ' N ' HG12 ' A' ' 102' ' ' VAL . 9.2 m -135.19 125.45 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.33 110.36 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.414 ' HE1' ' C ' ' A' ' 64' ' ' TYR . 16.2 mtm -86.0 124.09 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ASN . 18.8 p -108.08 156.52 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -39.39 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' THR . 70.2 m-80 -81.1 -68.33 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.0 -176.71 36.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.99 139.9 58.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -88.41 -164.85 40.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.79 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.6 p -48.47 170.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.09 144.37 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.475 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 76.0 m95 -76.41 92.09 3.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -82.06 132.73 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 119' ' ' ALA . 49.7 m -111.75 142.44 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' HG22 ' A' ' 118' ' ' THR . . . -125.29 140.3 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -104.44 128.29 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 68.8 p -82.73 140.43 43.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 111.154 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 120.13 6.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.3 -32.78 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.621 0.724 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.68 41.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -125.83 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.18 141.06 1.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 111.057 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.98 22.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.6 Cg_endo -69.74 173.0 11.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -120.29 168.77 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.2 m120 54.89 42.28 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 32' ' ' PRO . 95.6 t -96.68 93.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -131.39 169.99 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.31 149.09 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.98 110.65 4.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.786 HG11 ' HD3' ' A' ' 122' ' ' PRO . 90.3 t -79.19 112.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' OD1' ' A' ' 41' ' ' ASN . 20.1 t -84.73 -44.86 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -138.04 -179.91 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -67.16 -38.3 85.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -119.25 34.85 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -152.53 133.02 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -146.13 133.42 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' CA ' HD12 ' A' ' 88' ' ' LEU . 28.0 tttt -105.48 123.5 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -108.08 122.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 p -109.3 166.26 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.565 ' HB3' HG21 ' A' ' 102' ' ' VAL . 34.0 p90 -174.61 171.1 3.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 34' ' ' ASN . 47.9 mt -144.28 156.64 57.5 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.01 36.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.45 63.33 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.1 p -75.47 58.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.04 -36.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -87.8 -51.58 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.59 132.31 46.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -95.22 -50.69 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.46 146.7 23.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CE1' HG11 ' A' ' 107' ' ' VAL . 13.8 p90 -61.69 105.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' PHE . 22.5 mm -35.38 121.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.3 p -95.88 -46.4 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -153.02 -159.88 9.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 11.5 m-85 -147.97 144.02 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -98.99 141.54 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -131.37 127.55 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -128.85 114.17 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 25.3 p80 -102.9 148.54 25.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 56.1 mtp180 -125.0 147.92 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 98' ' ' TYR . 1.2 tmtp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.567 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 51.1 mtp . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -99.52 146.78 26.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 m -160.87 148.69 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.91 146.06 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.7 tt0 -134.15 101.58 12.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.76 -22.24 32.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -48.01 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -126.4 -179.72 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.616 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.9 mt -98.2 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -155.24 140.33 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.4 120.23 15.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 46' ' ' LYS . 5.4 tp -96.58 119.71 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.65 114.09 27.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 p -117.72 140.48 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.82 10.42 6.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 17.8 mt -75.34 -175.54 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -112.9 -178.87 3.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -94.52 161.93 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.38 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -119.01 179.64 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -137.45 126.8 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 60.0 m-85 -129.04 146.07 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -125.32 149.6 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -134.61 174.08 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.48 ' OE1' ' CZ2' ' A' ' 116' ' ' TRP . 7.3 pt20 -163.94 134.11 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 49' ' ' TRP . 92.2 t -107.4 141.4 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -136.44 129.25 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.42 133.76 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.402 ' HE3' ' C ' ' A' ' 64' ' ' TYR . 22.1 mtm -115.75 126.56 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -110.24 -178.05 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.479 HG11 ' CE1' ' A' ' 60' ' ' PHE . 18.2 m -64.15 -22.89 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.52 -63.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.58 -159.07 11.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -85.13 141.8 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.26 176.89 40.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.62 26.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.33 14.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.9 p -111.48 -179.25 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -47.38 147.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 69' ' ' ARG . 46.2 m95 -82.1 91.83 6.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -76.38 126.82 31.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 m -108.89 150.73 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.1 140.88 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.3 145.93 37.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.0 p -86.0 148.69 48.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.786 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.3 mt-10 -35.66 -43.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.629 0.728 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.74 158.34 57.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -109.5 8.95 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.08 139.4 15.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 111.079 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -132.18 162.64 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.659 ' HB2' HD12 ' A' ' 50' ' ' LEU . 54.5 t-20 59.15 50.94 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.76 93.32 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -149.43 163.8 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 100' ' ' PHE . 15.3 mt -107.14 153.8 22.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -135.89 120.48 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.736 HG11 ' HD3' ' A' ' 122' ' ' PRO . 60.0 t -88.32 95.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.57 -35.88 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -159.23 -175.18 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -73.94 -20.07 60.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 4.7 ptp180 -130.82 25.11 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -149.19 131.59 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.2 mt -138.52 122.56 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 16.7 tptm -90.33 143.77 26.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.33 140.51 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 p -139.85 171.64 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.861 ' CH2' HD11 ' A' ' 66' ' ' ILE . 42.1 p90 -167.23 173.27 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 34' ' ' ASN . 8.3 mt -144.07 158.48 55.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.361 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.94 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.38 67.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.2 p -51.2 165.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.32 -59.31 4.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.6 p -64.39 -30.42 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -53.32 116.4 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.01 -26.59 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.6 151.72 22.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -53.58 116.22 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.552 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 mp -57.88 102.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -66.62 -33.9 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.89 -152.25 7.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.552 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 89.4 m-85 -150.12 156.6 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 110' ' ' THR . 17.3 ttmm -126.28 128.41 47.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.861 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.1 mt -110.1 118.23 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -103.97 123.52 47.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -139.05 143.76 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -156.72 149.13 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.2 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 37.7 ttp . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.717 0.294 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.2 146.33 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 m -156.78 132.23 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.1 pp -135.34 141.9 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 83' ' ' ASN . 3.8 tp10 -134.87 101.57 11.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.73 -32.04 19.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.422 ' HB2' ' CD ' ' A' ' 81' ' ' GLU . 11.3 m-80 -44.02 -69.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -120.78 168.61 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -92.28 28.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.44 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 49.5 p-90 -145.65 139.0 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 66' ' ' ILE . 12.6 t80 -137.37 122.61 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.04 136.84 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.78 128.68 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.0 p -123.46 155.79 36.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.25 36.58 5.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.46 164.15 12.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 163.32 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -86.31 157.72 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.38 51.41 6.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -130.68 166.56 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.31 151.27 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 118' ' ' THR . 77.5 m-85 -152.55 158.73 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 m -130.53 158.54 39.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.672 ' HB2' HD21 ' A' ' 37' ' ' LEU . 82.8 m-85 -148.83 168.85 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.417 ' OE1' ' CE2' ' A' ' 116' ' ' TRP . 5.5 tt0 -163.62 160.08 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.63 134.57 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -133.1 121.45 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.08 116.51 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.5 mtm -87.64 131.92 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 p -119.19 -177.34 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.93 -14.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.55 -65.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.73 -163.78 23.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 65' ' ' LYS . 12.4 p -68.53 152.4 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.442 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.66 -162.25 34.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.24 39.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 112.48 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.749 2.3 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.1 p -73.62 158.68 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -41.33 131.84 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.417 ' CE2' ' OE1' ' A' ' 101' ' ' GLN . 49.7 m95 -74.4 104.45 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -85.76 158.23 20.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 98' ' ' TYR . 4.8 m -137.83 150.77 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.38 143.35 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -109.79 140.41 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.7 p -84.91 143.68 40.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.736 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.49 -37.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 112' ' ' PRO . 54.1 Cg_endo -69.71 167.56 24.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -121.78 -23.33 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.46 140.51 21.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 178.78 4.27 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -118.49 167.99 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.552 ' CG ' HD12 ' A' ' 50' ' ' LEU . 6.0 m120 48.7 53.76 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.6 t -98.08 88.25 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -128.76 166.38 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 100' ' ' PHE . 29.9 mt -132.55 124.12 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -113.85 129.27 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HD3' ' A' ' 122' ' ' PRO . 92.4 t -86.62 99.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.14 -48.8 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -142.98 -176.43 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 t -74.18 -15.08 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -126.9 -3.84 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -122.77 149.07 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mt -147.09 132.68 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 88' ' ' LEU . 32.9 tptt -95.05 124.77 39.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.45 128.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -136.76 164.29 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.2 p90 -163.1 -178.62 6.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 34' ' ' ASN . 30.3 mt -153.72 156.07 31.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.59 45.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.96 17.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.77 46.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.7 m -51.16 130.1 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.41 -39.33 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 p -76.6 -42.11 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.44 148.0 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -126.88 -31.76 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.701 ' O ' HG22 ' A' ' 106' ' ' THR . . . -112.32 120.06 5.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . 23.6 p90 -36.15 118.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.8 mp -59.22 102.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.2 p -68.04 -45.02 75.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.83 -160.0 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.639 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.0 m-85 -142.08 137.81 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.933 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -95.51 125.12 39.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 49' ' ' TRP . 9.4 mt -116.88 107.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -109.89 131.2 55.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -130.46 153.41 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -148.93 148.65 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 18.1 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HG3' ' C ' ' A' ' 77' ' ' MET . 13.5 mt-10 -145.28 113.64 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.443 HG21 ' CE2' ' A' ' 87' ' ' TYR . 7.6 m -123.71 136.91 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.5 pp -138.27 128.3 25.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.6 tt0 -131.78 101.55 15.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.726 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.75 -33.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -39.76 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 27.7 m120 -118.68 155.9 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mt -83.8 36.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 69.1 p-90 -157.74 146.97 19.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.9 t80 -135.1 110.07 8.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -83.08 115.43 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.483 ' N ' HD13 ' A' ' 88' ' ' LEU . 57.8 m-85 -98.96 144.26 28.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.8 p -141.49 159.79 41.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.27 50.35 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.95 161.56 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.03 135.39 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -74.13 148.12 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.36 61.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -123.59 151.12 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -88.9 155.61 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -156.16 164.16 38.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.4 m -131.96 158.48 41.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 37' ' ' LEU . 91.3 m-85 -144.49 168.77 19.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.431 ' OE1' ' NE1' ' A' ' 116' ' ' TRP . 23.2 tt0 -156.62 140.7 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 49' ' ' TRP . 58.4 t -127.82 133.04 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -135.99 148.7 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.96 111.32 23.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.4 mtm -86.57 127.35 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 59' ' ' GLY . 18.5 p -108.36 -176.41 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.26 -16.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.96 -69.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.4 -155.46 7.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.2 m -84.81 125.62 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -66.03 -167.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.47 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 53.5 Cg_endo -69.74 132.76 24.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.99 2.69 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t -53.64 149.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.6 m120 -42.91 126.64 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.431 ' NE1' ' OE1' ' A' ' 101' ' ' GLN . 50.5 m95 -62.11 103.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 78.5 m-85 -84.32 163.98 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.6 m -132.23 124.88 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -116.47 133.12 56.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.72 136.85 47.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.8 p -88.31 143.63 32.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.772 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.72 110.22 2.49 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.1 mt-10 -35.92 -41.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.578 0.704 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 54.1 Cg_endo -69.67 164.45 34.42 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 t -125.83 27.16 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.45 142.83 13.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 169.81 18.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -163.99 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.755 2.303 . . . . 0.0 112.379 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -133.88 160.91 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.823 ' HB2' HD12 ' A' ' 50' ' ' LEU . 40.4 t30 54.96 48.67 19.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.22 85.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.79 165.13 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 47' ' ' VAL . 44.7 mt -125.8 129.06 48.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -110.99 130.98 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.732 HG11 ' HD3' ' A' ' 122' ' ' PRO . 57.8 t -78.73 108.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.798 HG21 ' CD2' ' A' ' 88' ' ' LEU . 10.6 t -79.91 -42.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 61.2 m-20 -167.06 -178.5 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -58.14 -29.46 65.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -129.09 35.32 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -153.85 139.49 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -143.75 127.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -90.52 122.82 33.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 37' ' ' LEU . 60.4 t -108.16 131.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -127.36 159.6 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.796 ' CH2' HD11 ' A' ' 66' ' ' ILE . 23.8 p90 -168.4 158.86 10.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 34' ' ' ASN . 21.6 mt -130.81 157.8 76.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 154.99 67.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.38 21.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.25 42.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -46.57 -45.19 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.56 -62.84 2.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -65.08 -41.41 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -45.47 123.05 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.69 -24.16 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.54 167.89 19.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -76.07 120.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.56 142.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -120.22 -41.52 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.78 -169.89 34.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.1 m-85 -130.86 145.79 52.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -102.17 121.76 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.796 HD11 ' CH2' ' A' ' 49' ' ' TRP . 7.1 mt -113.86 111.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -119.38 138.79 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -125.79 160.29 30.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.33 156.29 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 23.0 tptp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.3 tpp . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -97.02 152.3 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -160.13 127.91 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.438 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.5 pp -112.94 146.12 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.4 tp10 -134.18 101.54 12.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.73 -24.03 30.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -48.24 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 45.1 m-80 -124.72 -177.15 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 15.7 mt -95.39 17.86 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.546 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.5 p-90 -133.04 157.9 44.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.798 ' CD2' HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -98.42 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.516 ' N ' HD13 ' A' ' 88' ' ' LEU . 92.0 m-85 -90.65 148.27 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 88' ' ' LEU . 74.3 p -146.1 137.36 24.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.68 28.08 4.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 177.07 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.317 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.67 147.93 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -82.29 151.29 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.59 66.15 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -154.99 171.39 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.19 134.13 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 30.7 m-85 -131.03 156.02 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 1.5 t -127.39 151.21 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 99' ' ' SER . 6.8 m-85 -141.47 168.41 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.608 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 6.4 tt0 -155.3 135.15 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.618 HG11 ' CB ' ' A' ' 49' ' ' TRP . 25.3 t -121.05 131.68 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 168.72 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.88 112.63 18.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.783 ' HG3' HG23 ' A' ' 110' ' ' THR . 3.1 mpp? -95.61 140.87 29.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 p -115.96 179.93 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.16 -16.7 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -91.96 -69.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.25 -170.11 21.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 105' ' ' MET . 14.2 m -79.72 138.45 37.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.428 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -79.99 -176.64 49.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 146.41 59.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.74 46.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -89.97 155.17 19.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -38.37 141.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.608 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 69.1 m95 -81.76 95.24 7.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.92 125.43 29.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -103.0 128.78 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.5 142.61 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -107.0 151.84 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.6 p -102.39 144.07 27.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.71 133.23 25.15 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.92 -29.52 60.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.681 0.753 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.76 146.28 59.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -115.09 -29.46 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.41 120.71 76.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 165.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.7 20.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.1 174.99 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 t30 51.45 38.41 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -87.76 87.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 m -137.25 162.95 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 100' ' ' PHE . 61.0 mt -114.18 136.24 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -121.39 144.6 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.599 HG11 ' HD3' ' A' ' 122' ' ' PRO . 72.1 t -103.38 127.07 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.56 -36.98 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -144.11 -178.95 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 m -76.44 -20.48 57.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.05 3.67 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.93 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 92' ' ' LEU . 62.1 mt -138.24 131.66 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -98.42 147.98 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.13 126.72 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 p -121.14 162.41 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.902 ' CH2' HD11 ' A' ' 66' ' ' ILE . 45.6 p90 -161.02 157.81 26.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -131.58 155.39 81.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.14 64.29 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.49 34.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.44 66.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -56.02 168.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.75 -46.24 3.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -85.94 -26.17 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -55.52 124.73 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -113.26 57.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.12 176.65 14.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -92.88 102.98 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.8 mp -54.1 106.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.2 p -87.54 -50.02 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 -153.71 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.665 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.0 m-85 -152.39 147.25 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -108.08 110.76 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.902 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.5 mt -98.92 106.32 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -98.36 125.77 43.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -136.52 171.0 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -170.91 163.73 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.747 0.308 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -146.1 161.62 39.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 80' ' ' LEU . 96.4 m -156.25 152.85 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -129.19 140.49 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.5 tp10 -134.68 101.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.78 -29.35 23.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 12.5 m-80 -36.61 -64.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -146.96 174.4 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 9.0 mt -84.46 35.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -149.84 140.45 22.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -137.14 119.87 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.2 tm? -94.79 103.28 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -82.14 147.23 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 p -144.27 152.29 40.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.38 47.41 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.586 HD13 HD12 ' A' ' 45' ' ' ILE . 11.1 mt -108.48 138.94 43.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.97 146.08 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.58 148.39 42.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.27 72.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 m -158.83 155.14 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -86.86 140.54 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -139.57 131.62 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -104.99 155.67 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 37' ' ' LEU . 48.8 m-85 -145.44 175.49 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -169.11 165.4 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.891 HG11 ' CB ' ' A' ' 49' ' ' TRP . 43.0 t -149.39 135.43 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 t -135.83 142.47 44.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.73 111.77 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.1 mtm -89.18 133.66 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.8 p -114.81 165.46 12.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.1 p -49.46 -18.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -90.72 -75.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.86 -162.45 10.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.2 m -95.86 141.14 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.77 -165.68 39.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.47 65.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 126.82 13.77 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.4 t -69.6 154.2 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.3 m120 -37.48 130.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -73.34 108.22 6.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 92.1 m-85 -96.38 158.72 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.2 m -137.89 140.43 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.75 142.74 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -105.52 128.13 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.3 p -78.93 140.04 57.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.133 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.599 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.4 Cg_endo -69.71 109.67 2.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 122' ' ' PRO . 24.1 mm-40 -36.36 -40.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.609 0.719 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.82 55.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -125.1 34.31 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.25 139.3 17.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.84 40.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.5 Cg_endo -69.79 179.34 3.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -122.69 158.85 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.674 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.6 t-20 57.63 40.23 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.647 HG21 ' HG2' ' A' ' 32' ' ' PRO . 77.0 t -84.19 99.92 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.9 t -139.24 158.31 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.52 131.95 54.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 45' ' ' ILE . 3.9 mm-40 -108.6 161.97 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG11 ' HD3' ' A' ' 122' ' ' PRO . 88.5 t -112.92 95.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.592 HG12 ' OD1' ' A' ' 41' ' ' ASN . 44.3 t -68.77 -47.46 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.592 ' OD1' HG12 ' A' ' 40' ' ' VAL . 31.7 m120 -160.88 -175.49 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -66.14 -39.28 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -113.97 29.15 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -150.85 145.83 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 38' ' ' GLU . 70.5 mt -149.54 142.25 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -108.48 128.96 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.2 126.67 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.8 p -128.54 172.94 10.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.711 ' CB ' HG11 ' A' ' 102' ' ' VAL . 46.2 p90 -168.86 155.15 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.9 mm? -117.82 158.81 44.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 149.45 66.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.51 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -38.98 -53.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.05 -72.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 p -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.1 96.68 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -114.44 33.16 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.36 148.74 18.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -69.81 109.13 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 105' ' ' MET . 64.2 mt -70.41 119.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.9 p -92.45 -39.18 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.6 -159.34 9.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 32.4 m-85 -148.81 145.09 27.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -99.62 151.12 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.8 mt -134.54 109.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -99.87 121.58 41.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.33 127.83 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -137.69 151.97 48.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 tttm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.769 0.318 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.56 138.6 31.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.1 m -159.78 113.77 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 82' ' ' PRO . 3.7 pp -118.16 137.97 52.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.9 101.61 51.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.668 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.77 -30.08 22.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -43.36 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 53.5 m-80 -141.87 -178.98 5.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 mt -91.69 43.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.432 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.6 p-90 -154.39 146.73 23.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.717 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 2.9 t80 -140.1 122.11 15.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.6 tm? -101.32 107.74 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.717 ' CE1' ' CD1' ' A' ' 87' ' ' TYR . 86.9 m-85 -89.68 150.73 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' CD1' ' A' ' 88' ' ' LEU . 22.8 p -152.4 148.9 28.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 20.65 8.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.2 173.71 9.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -109.98 153.93 23.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.54 166.23 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 41.12 70.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 p -153.03 179.93 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.49 120.02 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -120.6 138.82 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.2 m -106.05 160.55 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -147.82 173.6 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 113' ' ' PRO . 16.2 tt0 -162.56 140.48 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.711 HG11 ' CB ' ' A' ' 49' ' ' TRP . 42.5 t -127.56 138.2 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -145.13 134.67 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -77.11 124.83 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.763 ' HG2' HG23 ' A' ' 110' ' ' THR . 17.2 mtm -102.38 144.72 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -127.57 167.58 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.22 -15.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -88.53 -60.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.49 -150.34 6.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.763 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.0 OUTLIER -117.96 128.52 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.98 -171.24 19.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.4 57.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.446 ' HB3' ' NE2' ' A' ' 101' ' ' GLN . 53.1 Cg_endo -69.83 128.11 15.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 p -61.0 178.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -54.81 142.09 30.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -79.25 92.67 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.404 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 91.2 m-85 -80.72 163.17 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.021 0.439 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 49.1 m -145.66 140.6 27.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.57 131.41 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.73 125.66 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.3 p -63.98 143.89 98.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.8 108.81 2.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -37.32 -41.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.5 Cg_endo -69.76 139.81 41.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -113.67 43.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.8 4.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.81 143.49 50.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -95.72 160.8 14.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.81 54.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 35' ' ' VAL . 90.3 t -105.73 82.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -124.09 156.25 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 119' ' ' ALA . 20.4 mt -104.82 135.25 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 98.0 t -66.63 98.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' H ' ' A' ' 46' ' ' LYS . 46.8 t -68.75 -50.07 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' ND2' HG12 ' A' ' 40' ' ' VAL . 80.7 m-20 -155.43 -175.22 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -65.04 -34.61 78.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -119.23 31.63 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -154.97 139.21 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.634 HD12 HD13 ' A' ' 92' ' ' LEU . 95.6 mt -142.56 125.37 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' H ' HG23 ' A' ' 40' ' ' VAL . 22.7 tptp -91.2 132.1 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.51 118.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 t -123.27 169.0 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 86' ' ' TRP . 40.9 p90 -164.43 164.01 22.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.4 mt -129.53 156.22 78.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 160.53 49.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.53 27.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.38 12.76 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 p -68.49 147.73 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.08 -63.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -59.81 -24.22 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.727 0.299 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.56 121.43 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -110.39 -50.95 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.66 158.69 14.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -70.73 105.25 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 64' ' ' TYR . 44.1 mt -50.61 120.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -101.41 -6.81 23.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.05 -165.4 38.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.739 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.0 m-85 -144.4 139.78 28.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -89.18 130.98 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' CH2' ' A' ' 49' ' ' TRP . 35.5 mt -123.52 104.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtt-85 -101.03 121.09 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -113.6 118.32 34.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.1 ttt-85 -119.09 148.8 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 74.1 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.714 0.292 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.86 165.84 24.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 m -160.75 113.95 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.876 HD21 ' CE ' ' A' ' 105' ' ' MET . 11.2 mt -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tp10 -133.68 101.65 12.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -21.62 33.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.412 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 81' ' ' GLU . 27.8 m120 -44.54 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -147.73 -177.94 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 3.8 mt -83.72 34.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 42.1 p-90 -147.02 143.58 28.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.76 117.62 14.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -96.01 107.22 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -88.89 145.79 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 p -142.33 160.45 40.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.08 48.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 45' ' ' ILE . 11.5 mt -81.82 150.65 27.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.28 135.83 38.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -70.39 150.08 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.02 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -150.85 163.28 39.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 118' ' ' THR . 31.7 tt0 -110.0 133.35 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 118' ' ' THR . 61.6 m-85 -133.96 145.48 49.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.595 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 3.8 m -114.24 159.43 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 99' ' ' SER . 15.1 m-85 -154.34 155.01 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -149.89 122.86 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.532 HG11 ' CB ' ' A' ' 49' ' ' TRP . 93.0 t -97.9 144.06 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.5 p -151.44 138.13 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -88.47 118.04 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.876 ' CE ' HD21 ' A' ' 80' ' ' LEU . 40.0 mtm -98.15 144.94 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.0 p -125.98 177.98 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.26 -13.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -93.11 -68.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -161.08 -150.15 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.584 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.1 m -109.31 125.31 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.462 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.15 -164.86 0.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.3 44.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.27 32.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.3 p -81.04 157.06 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 11.8 m120 -43.09 135.65 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -76.16 94.17 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 49.3 m-85 -85.42 150.29 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 97' ' ' GLN . 87.0 m -128.05 146.6 50.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -137.63 130.32 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -102.24 135.8 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -84.3 142.48 40.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.538 0.685 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.3 -39.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.76 118.1 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.218 . . . . 0.0 112.376 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 m -90.72 11.4 22.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.93 140.29 37.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.42 18.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -133.18 149.9 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' HD23 ' A' ' 50' ' ' LEU . 44.2 t-20 68.04 50.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.84 91.15 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.7 t -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 100' ' ' PHE . 26.4 mt -120.09 128.84 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 45' ' ' ILE . 30.5 tt0 -112.56 127.43 56.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 122' ' ' PRO . 47.3 t -85.37 111.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 85.6 t -91.82 -36.29 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 81.2 m-20 -162.88 176.55 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.4 p -72.04 -11.6 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -130.94 0.49 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' HG22 ' A' ' 90' ' ' THR . 3.9 m -131.34 150.36 52.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 38' ' ' GLU . 76.7 mt -153.08 136.21 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -97.54 135.69 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.1 117.99 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 p -117.66 166.27 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.1 p90 -168.88 147.89 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 34' ' ' ASN . 1.4 mm? -114.12 157.36 42.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.59 56.47 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 131.04 20.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' PRO . 13.1 m -37.74 -33.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.53 -79.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.2 p -57.97 -25.47 61.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.8 tt0 -36.36 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -56.37 -43.83 79.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.63 -170.9 25.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.62 96.66 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.699 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -42.35 112.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -84.17 -46.99 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.29 179.89 26.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 39.4 m-85 -127.65 146.25 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -107.23 123.88 48.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 ' CH2' ' A' ' 49' ' ' TRP . 56.4 mt -116.21 107.32 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -106.75 120.32 41.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -121.12 125.35 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -115.03 169.27 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 13.9 tptm . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.71 0.291 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.5 pp20? -93.43 153.25 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.459 HG21 ' CE2' ' A' ' 87' ' ' TYR . 17.1 m -157.78 133.88 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.3 pp -127.04 137.5 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -133.1 101.56 13.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.682 0.753 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.6 31.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -54.72 -60.67 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -140.6 -179.86 6.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.79 24.2 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -136.96 143.77 43.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.5 t80 -141.19 114.03 8.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tp -92.83 132.71 36.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 26.6 m-85 -114.79 118.05 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.44 HG22 ' OG ' ' A' ' 44' ' ' SER . 10.4 p -117.68 152.18 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 43.03 3.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -105.88 169.58 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.85 143.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -79.47 141.16 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.24 41.01 80.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 168.6 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.408 ' CG ' ' CG2' ' A' ' 118' ' ' THR . 22.6 tt0 -103.92 154.26 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 90.4 m-85 -154.35 132.84 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -111.17 148.29 33.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.747 ' HB2' HD21 ' A' ' 37' ' ' LEU . 87.8 m-85 -134.75 158.02 45.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 114' ' ' SER . 1.5 tp-100 -146.87 141.99 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.615 HG11 ' CB ' ' A' ' 49' ' ' TRP . 15.7 t -129.33 128.69 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -133.21 133.02 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.77 117.82 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.645 ' CG ' HG23 ' A' ' 110' ' ' THR . 11.2 mtm -100.65 149.87 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.6 p -126.05 -177.88 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.21 -5.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -104.0 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.38 -149.05 4.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.645 HG23 ' CG ' ' A' ' 105' ' ' MET . 2.8 m -125.29 147.09 49.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -82.33 179.09 53.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.44 57.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.7 7.43 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.486 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 1.0 OUTLIER -63.77 178.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 17.5 m-20 -56.64 131.1 47.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -65.67 118.62 9.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 80.6 m-85 -102.16 136.3 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' CG ' ' A' ' 97' ' ' GLN . 21.2 m -121.16 140.26 52.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.29 131.84 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.92 148.88 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.1 p -96.47 145.85 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.746 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.79 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -44.11 -36.69 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' HD2' ' A' ' 112' ' ' PRO . 53.4 Cg_endo -69.76 175.76 7.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -133.42 21.87 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.84 140.5 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.47 18.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.36 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.22 157.42 34.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.551 ' HB2' HD12 ' A' ' 50' ' ' LEU . 11.4 t30 61.09 48.28 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.48 89.77 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -142.44 155.79 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.597 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 83.1 mt -101.61 138.95 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -128.1 106.36 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG11 ' HD3' ' A' ' 122' ' ' PRO . 61.8 t -80.15 125.82 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD1' ' A' ' 41' ' ' ASN . 36.0 t -107.89 -40.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.649 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -141.49 163.56 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -63.67 -16.73 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -129.22 16.86 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -144.59 138.07 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.4 mt -145.22 140.07 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -106.59 139.44 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.39 117.24 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -114.37 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 1.071 ' CH2' HD11 ' A' ' 66' ' ' ILE . 48.2 p90 -170.97 178.92 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 34' ' ' ASN . 36.5 mt -150.03 157.31 37.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.65 68.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.507 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 53.6 Cg_endo -69.75 169.37 19.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.77 124.8 11.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' PRO . 47.8 m -35.37 140.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.36 -40.28 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.8 p -89.76 -23.8 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 52' ' ' PRO . 5.5 pt20 -94.33 56.6 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.26 -12.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . . . -109.82 122.53 6.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLY . 11.9 t80 -36.3 136.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -79.31 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -110.01 -41.43 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -177.8 -154.49 12.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 15.8 m-85 -143.82 136.79 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.908 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -93.64 118.92 32.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.071 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.9 mt -108.14 109.84 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -105.1 114.6 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 5.4 p80 -115.25 147.75 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -169.12 163.26 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' CE ' ' CE1' ' A' ' 98' ' ' TYR . 24.4 ttmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.67 134.06 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.9 m -159.43 109.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.6 pp -115.78 141.49 48.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -126.13 113.28 23.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.1 Cg_endo -69.76 -38.97 7.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' PRO . 67.3 m-80 -36.41 -66.4 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -135.27 -177.26 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.55 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.9 mt -97.23 17.65 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -127.26 143.81 51.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -138.89 116.72 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -93.54 107.36 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.962 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -84.8 148.51 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -145.82 135.13 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.99 32.12 1.93 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.2 mt -96.48 -179.62 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -99.7 173.57 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -99.83 163.33 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 35.5 58.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -139.81 173.53 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -115.63 134.25 55.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 118' ' ' THR . 7.5 m-85 -130.44 164.92 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 24.7 m -138.7 157.98 45.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 68' ' ' HIS . 34.3 m-85 -152.53 176.6 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.433 ' OE1' ' CD1' ' A' ' 116' ' ' TRP . 5.1 tt0 -165.22 141.09 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.612 HG11 ' CB ' ' A' ' 49' ' ' TRP . 16.1 t -119.33 132.8 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -134.45 131.86 38.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.78 119.02 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.3 mtm -94.76 132.72 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 59' ' ' GLY . 7.7 p -107.43 -175.93 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 107' ' ' VAL . 8.5 p -61.84 -10.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -99.57 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.53 -156.57 8.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 m -87.43 127.66 35.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -69.76 -160.59 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD2' ' HG2' ' A' ' 28' ' ' PRO . 53.9 Cg_endo -69.78 133.56 25.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -65.97 179.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -62.24 135.96 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.433 ' CD1' ' OE1' ' A' ' 101' ' ' GLN . 48.9 m95 -73.36 95.35 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -75.98 145.42 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 98' ' ' TYR . 86.7 m -119.79 135.43 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -125.31 131.79 52.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -104.39 120.33 40.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.8 p -70.16 143.9 91.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.524 0.678 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.758 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.75 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -49.23 -29.82 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.8 157.13 61.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 8.79 11.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.98 132.43 24.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 168.63 20.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.24 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.7 172.47 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.877 ' HB2' HD12 ' A' ' 50' ' ' LEU . 42.9 t30 50.44 37.2 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.9 t -83.88 90.74 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -135.98 168.03 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.752 ' CD2' HG22 ' A' ' 47' ' ' VAL . 19.6 mt -123.82 147.18 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.87 106.76 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG11 ' HD3' ' A' ' 122' ' ' PRO . 41.2 t -67.35 109.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.76 -45.91 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -147.87 -178.93 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -78.61 -13.56 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -129.05 4.48 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -139.24 133.15 30.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.433 HG13 HD12 ' A' ' 92' ' ' LEU . 8.8 mt -137.6 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -97.74 136.41 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.752 HG22 ' CD2' ' A' ' 37' ' ' LEU . 53.8 t -130.6 118.64 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -120.31 163.65 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 48.6 p90 -157.29 -178.87 7.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD12 ' HB2' ' A' ' 34' ' ' ASN . 35.0 mt -149.52 157.57 38.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 160.67 48.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -53.66 165.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . . . 77.01 -80.9 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' GLY . 10.2 p -35.82 -36.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.4 114.78 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -95.87 -50.11 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.08 171.69 15.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -80.75 107.93 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 77.7 mt -57.03 128.37 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -106.96 -43.48 4.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -151.0 -148.88 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CE1' HD22 ' A' ' 85' ' ' LEU . 53.6 m-85 -153.74 165.67 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -125.39 130.28 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.8 112.54 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -101.61 112.33 24.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -123.89 136.61 54.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -146.24 147.79 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 18.3 tptp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.2 tpt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.741 0.305 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.2 pp20? -112.5 152.34 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -157.7 118.3 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -107.99 137.43 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.2 tt0 -132.72 101.6 14.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.4 Cg_endo -69.78 -21.41 33.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -44.84 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -128.48 171.55 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 23.9 mt -84.01 16.51 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -141.76 154.68 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.473 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.2 t80 -134.12 120.09 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.3 tm? -97.41 108.09 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.6 m-85 -90.5 145.56 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p -137.62 138.77 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.94 50.37 2.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 45' ' ' ILE . 26.0 mt -106.1 161.24 14.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.756 0.312 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.0 142.44 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -77.72 156.71 30.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.91 59.62 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 m -142.07 161.69 37.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -90.43 142.22 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.588 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.6 m-85 -148.09 121.88 9.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -105.38 135.75 46.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -125.24 147.13 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.639 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 17.3 tt0 -139.32 141.32 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 49' ' ' TRP . 46.6 t -123.71 145.18 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -144.29 138.03 27.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.26 132.72 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 30.3 mtm -109.82 131.29 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.6 p -116.05 158.44 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -39.45 -30.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.03 -74.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.61 -130.15 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 105' ' ' MET . 57.9 m -122.23 119.47 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.95 165.2 34.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 54.2 Cg_endo -69.72 -175.18 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.6 p -120.27 172.97 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 8.1 m-20 -41.56 135.84 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.639 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 62.8 m95 -67.03 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 115' ' ' ASN . 94.8 m-85 -79.32 141.37 37.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -126.44 146.01 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.37 131.75 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -95.17 137.05 34.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.2 p -85.34 147.49 47.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.68 113.36 3.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.425 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -41.92 -35.02 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.63 0.728 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.79 165.66 30.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -120.19 -34.35 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -88.92 136.79 30.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 53.8 Cg_endo -69.78 168.96 20.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.471 ' NE2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mp0 -118.56 172.47 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.788 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.1 m-80 49.81 41.79 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.0 83.19 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -127.31 149.9 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.61 HD23 HG13 ' A' ' 47' ' ' VAL . 12.5 mt -109.55 132.14 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -105.82 148.44 27.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.1 t -106.99 100.07 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.39 -47.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -146.83 -176.35 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p -82.82 -20.06 36.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -109.7 -19.04 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -117.51 155.9 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.8 mt -150.45 135.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -99.05 134.49 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 HD23 ' A' ' 37' ' ' LEU . 58.6 t -131.75 117.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.7 p -120.95 172.9 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 85' ' ' LEU . 48.9 p90 -173.4 170.05 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.788 HD12 ' CG ' ' A' ' 34' ' ' ASN . 86.1 mt -131.38 153.79 81.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.7 52.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HB2' HG23 ' A' ' 56' ' ' THR . 53.7 Cg_endo -69.79 160.05 51.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD3' ' NE2' ' A' ' 33' ' ' GLN . 53.7 Cg_endo -69.79 143.52 50.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.2 t -34.32 -43.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.44 -49.44 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 30' ' ' ALA . 8.8 t -114.56 51.35 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -120.2 41.88 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -59.82 -40.74 89.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.2 143.1 16.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.76 116.34 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 mt -59.71 133.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.0 p -120.22 -41.21 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.92 -172.07 22.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 14.7 m-85 -139.09 147.62 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.905 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -109.05 114.26 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD11 ' CH2' ' A' ' 49' ' ' TRP . 15.5 mt -101.61 129.32 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -118.8 113.15 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.96 119.3 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.497 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 6.8 ttt180 -121.24 149.3 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HE2' ' CE1' ' A' ' 98' ' ' TYR . 26.1 tptp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 mtp . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.696 0.284 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.29 141.85 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.7 m -158.34 138.7 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.14 150.8 47.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.4 tt0 -134.28 101.77 12.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 54.0 Cg_endo -69.76 -30.07 22.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' PRO . 32.0 m120 -38.15 -65.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -148.82 -179.7 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 30.9 mt -83.48 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -152.83 142.83 22.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 2.7 t80 -133.63 117.89 17.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.66 118.23 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 87' ' ' TYR . 94.5 m-85 -102.72 149.39 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.3 p -142.39 152.68 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.01 64.78 2.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.0 mt -124.12 155.78 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.33 133.2 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -78.95 145.0 34.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.35 50.74 63.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -139.71 160.12 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -99.35 133.81 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 70' ' ' LYS . 26.8 m-85 -127.27 151.72 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -118.56 138.95 52.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.01 163.66 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -159.62 140.17 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 49' ' ' TRP . 68.8 t -115.05 143.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.5 m -140.58 133.52 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.46 113.44 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.501 ' HG2' HG23 ' A' ' 110' ' ' THR . 69.4 mtm -91.8 134.96 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.8 p -123.75 163.77 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.8 p -43.44 -37.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -69.76 -47.5 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.49 -179.52 40.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.501 HG23 ' HG2' ' A' ' 105' ' ' MET . 6.0 m -64.61 133.4 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.423 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -76.94 -170.03 32.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.58 40.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.218 . . . . 0.0 112.409 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 7.2 t -58.95 165.21 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -47.79 159.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -94.7 95.14 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -81.56 146.14 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -120.9 138.76 53.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.19 134.19 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -108.2 125.67 51.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -82.01 144.7 51.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.524 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.73 111.12 2.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -39.32 -41.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 124' ' ' ASN . 13.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.673 0.749 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.78 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 m -123.24 -14.25 7.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -116.68 143.18 30.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.53 18.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -131.16 161.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' HB2' HD12 ' A' ' 50' ' ' LEU . 66.6 t30 57.28 45.86 19.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -91.42 94.97 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 m -144.67 166.19 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 119' ' ' ALA . 31.9 mt -118.18 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.23 130.4 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.642 HG11 ' HD3' ' A' ' 122' ' ' PRO . 99.6 t -96.25 103.58 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -86.02 -47.26 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -143.8 -178.64 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -76.93 -22.11 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -120.69 -2.0 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 m -125.53 129.09 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mt -130.43 141.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HD23 ' A' ' 88' ' ' LEU . 12.4 tptm -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.1 118.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 166.57 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 66' ' ' ILE . 47.1 p90 -170.08 174.85 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 34' ' ' ASN . 14.4 mt -138.5 158.95 69.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 53.3 Cg_endo -69.85 154.64 67.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.77 168.28 22.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.68 131.33 21.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' PRO . 23.1 m -36.25 -36.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.49 -77.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 30' ' ' ALA . 13.1 t -71.87 -41.27 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.164 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 56' ' ' THR . 30.1 tt0 -39.29 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -116.87 72.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.26 125.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 100.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 50.0 mt -54.94 123.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.2 p -91.79 -45.43 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.59 -164.93 14.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.774 ' O ' HD23 ' A' ' 80' ' ' LEU . 60.4 m-85 -138.5 145.12 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HD3' ' CE ' ' A' ' 105' ' ' MET . 0.7 OUTLIER -96.73 140.69 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 ' CH2' ' A' ' 49' ' ' TRP . 14.5 mt -137.47 106.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -105.17 144.22 32.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -126.14 159.56 32.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -166.66 155.12 10.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 3.7 tppt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 73.5 mtp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.751 0.31 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.67 163.7 32.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.2 m -159.86 109.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.875 HD21 ' CE ' ' A' ' 105' ' ' MET . 10.1 mt -85.45 136.91 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -134.99 101.11 11.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.681 0.753 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.6 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PRO . 10.1 m120 -34.42 -71.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.519 ' HB2' ' CD1' ' A' ' 86' ' ' TRP . 54.6 m-80 -153.12 -177.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -84.62 31.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 84' ' ' ASN . 62.0 p-90 -141.9 144.51 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -138.67 123.53 18.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' HD3' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -106.53 105.45 15.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -87.91 150.33 23.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.3 p -143.04 137.2 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 57.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.07 170.04 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.4 155.21 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.5 pttt -87.47 172.02 10.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 36.27 33.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 11.1 p -113.06 166.54 11.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -109.99 145.9 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.72 ' O ' HG23 ' A' ' 118' ' ' THR . 43.5 m-85 -149.47 158.73 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -136.79 137.42 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -131.83 162.33 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.497 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 3.6 pt20 -149.37 165.61 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.0 t -136.95 133.55 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -128.6 117.87 21.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 105.19 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.875 ' CE ' HD21 ' A' ' 80' ' ' LEU . 21.4 mtm -87.48 138.56 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.5 p -124.34 -177.51 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 107' ' ' VAL . 8.9 p -54.99 -13.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.46 -70.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.77 -145.0 4.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 105' ' ' MET . 0.7 OUTLIER -94.3 144.89 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.79 -167.72 43.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.41 13.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 t -50.02 168.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -49.24 148.51 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 40.0 m95 -75.83 98.83 4.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -81.5 153.28 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 98' ' ' TYR . 82.1 m -138.94 131.34 28.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -118.38 128.11 54.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.34 124.13 38.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 48.0 p -71.91 136.31 82.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.642 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.71 -35.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 123.1 9.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -92.9 -38.77 11.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -76.84 141.56 68.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.693 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 164.5 34.23 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.51 68.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.541 ' HB2' HD12 ' A' ' 50' ' ' LEU . 16.4 t30 65.11 40.17 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.47 104.93 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -155.38 162.64 40.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 100' ' ' PHE . 13.7 mt -114.53 129.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.04 124.05 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 62.0 t -85.63 116.06 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t -94.6 -45.55 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -150.17 -179.17 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 p -73.39 -22.86 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -124.2 18.97 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -147.62 133.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 121' ' ' THR . 91.3 mt -140.47 128.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -96.34 141.8 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.7 118.89 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.9 p -116.99 155.95 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.9 p90 -156.05 170.36 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 34' ' ' ASN . 26.5 mt -139.68 155.48 71.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.3 53.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.7 69.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -53.73 -23.8 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -51.91 -62.53 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 30' ' ' ALA . 14.3 t -85.05 -20.11 30.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 111.206 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -49.88 91.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -122.13 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.71 138.84 3.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -70.84 104.64 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.7 mp -48.71 144.21 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 p -122.69 -22.2 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.94 -162.62 23.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.1 m-85 -149.39 143.95 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.961 0.41 . . . . 0.0 110.914 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -99.9 125.43 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.574 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.0 mt -121.73 107.04 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -100.55 131.88 46.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -134.71 154.92 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -170.65 179.11 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.96 143.87 26.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -152.52 139.15 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -135.57 139.08 43.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 2.7 tt0 -132.57 101.53 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.7 Cg_endo -69.74 -26.64 27.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.388 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 22.0 m-80 -37.45 -66.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 47.5 m-80 -136.14 -175.74 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.678 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.6 mt -97.17 21.04 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 68.1 p-90 -134.38 146.8 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.772 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 2.7 t80 -133.67 128.11 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.2 tm? -106.6 107.41 18.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.772 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.3 m-85 -98.34 144.36 27.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 88' ' ' LEU . 13.9 p -144.38 150.96 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.04 58.72 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.59 159.47 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.61 123.94 28.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -56.95 143.54 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 62.7 70.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -156.41 171.67 19.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -113.02 139.58 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -136.84 150.38 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -108.47 159.18 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.564 ' HB2' HD21 ' A' ' 37' ' ' LEU . 85.6 m-85 -150.55 170.45 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 102' ' ' VAL . 23.0 tt0 -169.97 150.07 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 49' ' ' TRP . 48.2 t -133.37 145.93 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -154.03 120.85 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 124.86 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.652 ' HG2' HG23 ' A' ' 110' ' ' THR . 36.7 mtm -103.7 130.34 51.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -111.86 172.58 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.28 -31.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -73.66 -53.38 10.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.18 -168.79 38.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.652 HG23 ' HG2' ' A' ' 105' ' ' MET . 3.5 m -98.9 160.96 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 110' ' ' THR . . . -105.32 -177.4 24.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.55 65.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 135.69 30.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.9 p -77.86 166.28 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -46.93 131.26 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -67.84 100.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -81.71 132.3 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.62 147.03 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -136.85 127.4 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -100.67 113.95 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -64.95 144.29 99.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.172 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.3 Cg_endo -69.72 140.64 43.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.57 -23.06 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.625 0.726 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.54 38.07 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -114.43 43.53 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.93 134.21 8.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.575 0.703 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.8 Cg_endo -69.76 176.03 7.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -114.05 167.2 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.5 m-20 45.98 51.34 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' A' ' 32' ' ' PRO . 98.1 t -91.19 87.53 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -128.11 163.9 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.44 122.74 41.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -104.94 134.52 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 ' HD3' ' A' ' 122' ' ' PRO . 69.7 t -95.71 101.64 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -82.44 -48.0 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -143.94 -175.89 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.8 p -83.21 -18.57 38.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -118.37 -13.8 9.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 1.6 m -113.6 159.61 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 44' ' ' SER . 11.4 mt -157.67 143.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -110.22 126.17 53.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.02 117.89 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.3 p -122.08 177.83 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CG ' HG11 ' A' ' 102' ' ' VAL . 43.2 p90 -174.27 171.62 3.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 34' ' ' ASN . 65.1 mt -134.42 154.09 79.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 156.72 62.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 53.3 Cg_endo -69.81 170.0 17.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 150.3 68.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.4 p -57.35 -15.66 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.2 -34.71 45.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -97.22 -19.78 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 111.099 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 59.9 mt-30 -68.74 125.31 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -30.13 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.35 179.39 16.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -83.41 123.83 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 HG22 ' A' ' 106' ' ' THR . 50.9 mm -63.11 118.72 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -101.9 -45.57 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -160.26 -171.51 26.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.673 ' O ' HD23 ' A' ' 80' ' ' LEU . 6.7 m-85 -138.31 128.13 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.53 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD11 ' CH2' ' A' ' 49' ' ' TRP . 8.1 mt -118.79 107.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -99.61 127.54 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.552 ' CE1' ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -121.28 155.91 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -154.8 148.8 25.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.552 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 1.9 ptt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -127.68 152.62 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.401 HG21 ' CE2' ' A' ' 87' ' ' TYR . 48.1 m -151.31 114.19 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 64' ' ' TYR . 11.7 mt -90.44 140.03 30.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.28 101.37 12.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.9 Cg_endo -69.72 -39.1 6.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' PRO . 11.6 m120 -34.34 -70.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.84 176.65 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.4 mt -88.44 31.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.453 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 67.6 p-90 -148.66 150.65 33.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CE2' HG21 ' A' ' 79' ' ' THR . 5.5 t80 -136.07 110.91 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.81 124.2 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.46 152.63 21.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -148.42 158.19 43.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.85 50.99 3.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -114.15 152.48 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -77.17 125.84 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -64.55 133.52 52.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.44 47.86 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -141.33 155.37 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -92.78 139.99 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -139.07 152.5 47.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 146.03 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -145.88 153.13 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.85 166.88 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.552 HG11 ' CG ' ' A' ' 49' ' ' TRP . 92.2 t -141.37 134.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -130.13 136.53 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.39 129.9 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.611 ' CE ' HD11 ' A' ' 80' ' ' LEU . 22.8 mtm -117.85 137.35 52.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.543 HG22 HD13 ' A' ' 61' ' ' ILE . 58.2 p -120.07 174.73 6.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -54.39 -23.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -78.66 -64.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.08 -138.08 2.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.8 m -124.79 134.4 52.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.83 -166.55 39.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.54 53.07 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 p -76.69 168.39 20.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -57.92 160.39 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -83.1 90.17 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -79.93 127.26 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.0 m -103.69 142.35 34.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.83 141.6 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -111.49 125.32 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 p -83.77 141.73 41.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.532 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.73 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.96 -37.63 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.77 166.24 28.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.638 2.225 . . . . 0.0 112.367 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -127.47 32.66 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 124.51 2.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.6 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.63 49.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -109.5 178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.813 ' HB2' HD12 ' A' ' 50' ' ' LEU . 61.9 t30 50.42 44.61 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.2 89.58 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.0 m -129.43 169.96 14.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 119' ' ' ALA . 51.0 mt -118.79 136.34 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -125.49 106.63 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.518 HG11 ' HD3' ' A' ' 122' ' ' PRO . 86.3 t -73.79 97.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.8 -52.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.0 178.53 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -64.1 -23.16 67.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -129.44 30.98 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -155.22 127.41 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' CD1' ' A' ' 92' ' ' LEU . 71.3 mt -137.16 122.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.3 ttmt -98.62 126.79 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 61.6 t -116.38 121.35 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -113.68 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.616 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 34.1 p90 -170.71 174.59 4.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.813 HD12 ' HB2' ' A' ' 34' ' ' ASN . 17.1 mt -140.29 157.31 68.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.98 68.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.73 20.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 160.58 49.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -64.72 156.69 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.75 -38.82 3.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -85.17 -57.92 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.63 93.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -66.42 -58.66 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.61 139.26 14.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 107' ' ' VAL . 38.9 p90 -54.95 114.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 61' ' ' ILE . 5.1 mp -57.36 123.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.9 p -89.37 -42.83 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.1 179.61 23.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 20.1 m-85 -126.55 147.05 49.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.952 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' HG13 ' A' ' 66' ' ' ILE . 23.3 tttt -102.15 152.47 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 65' ' ' LYS . 15.2 mt -139.99 135.4 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -121.83 122.2 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' C ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 p-80 -113.33 144.81 42.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 13.6 mtp180 -157.22 158.6 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 9.7 tttm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.19 162.94 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 m -158.69 141.86 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.6 pp -119.07 156.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -134.21 101.84 12.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.77 -12.62 33.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.228 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -59.53 -75.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -142.43 -175.03 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 64' ' ' TYR . 2.8 mt -87.65 38.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 86' ' ' TRP . 43.0 p-90 -151.89 134.54 15.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 1.8 t80 -123.5 115.0 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.463 HD23 ' HB2' ' A' ' 46' ' ' LYS . 2.8 tm? -95.96 104.37 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 58.1 m-85 -91.08 147.2 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.3 p -142.39 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 44.67 24.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 45' ' ' ILE . 60.8 mt -95.48 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -85.17 116.53 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -56.79 164.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.67 51.94 36.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -156.28 153.04 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 20.5 tt0 -95.09 155.97 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.527 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 61.8 m-85 -151.55 146.79 26.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.4 m -112.17 162.65 15.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -154.36 134.42 13.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.564 ' NE2' ' NE1' ' A' ' 116' ' ' TRP . 34.6 tt0 -137.12 119.79 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.54 HG11 ' CG ' ' A' ' 49' ' ' TRP . 98.6 t -97.79 145.58 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 m -138.92 163.79 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.05 111.65 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 80' ' ' LEU . 47.1 mtm -92.98 128.95 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -100.9 179.05 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 33.2 m -65.74 -11.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -96.52 -72.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -157.51 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -98.18 125.83 43.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.404 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -68.78 178.92 23.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.71 43.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.6 Cg_endo -69.84 150.82 68.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 73.8 p -97.97 177.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -44.02 147.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.564 ' NE1' ' NE2' ' A' ' 101' ' ' GLN . 44.8 m95 -90.08 99.63 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -85.52 140.98 30.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 m -117.1 148.63 41.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.778 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -132.52 157.77 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -126.85 133.68 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.4 p -85.43 135.16 39.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.518 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 115.14 3.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -40.97 -41.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.49 60.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 m -113.32 -27.1 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.34 125.86 75.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.31 42.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.2 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -114.7 168.07 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.5 t30 60.8 46.72 8.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.3 t -94.31 98.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -153.81 158.85 41.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 119' ' ' ALA . 62.5 mt -103.88 155.59 18.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -138.53 109.72 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' HD3' ' A' ' 122' ' ' PRO . 59.9 t -69.52 95.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 17.3 t -75.47 -52.15 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -149.5 177.07 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 p -62.19 -39.57 93.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.36 35.0 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -155.21 143.46 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.0 mt -146.63 141.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -112.05 130.61 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 100' ' ' PHE . 90.2 t -125.81 128.15 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -127.69 165.92 19.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 37.2 p90 -159.69 173.93 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -143.73 155.98 59.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 155.62 65.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.57 67.21 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.6 p -51.12 169.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.87 -48.26 3.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -76.7 -40.54 48.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -40.27 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.38 68.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.29 176.19 14.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.37 119.57 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.76 87.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.1 p -51.76 -57.05 10.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.97 -161.41 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 40.2 m-85 -133.18 127.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' CE ' ' A' ' 105' ' ' MET . 0.6 OUTLIER -79.61 122.86 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.534 HD11 ' CH2' ' A' ' 49' ' ' TRP . 6.3 mt -117.85 107.13 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -112.38 128.53 56.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -128.19 131.39 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -135.24 141.98 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.692 0.282 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -92.65 130.79 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -142.79 143.94 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.0 pp -135.64 139.98 44.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.3 tp10 -130.53 101.63 17.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.73 -37.81 8.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -37.84 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -117.46 174.48 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.5 mt -100.65 20.97 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -140.5 146.38 38.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.72 117.35 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 46' ' ' LYS . 5.3 tp -93.63 121.02 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -100.3 120.85 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -115.7 166.22 12.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.75 57.94 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.0 144.8 43.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -80.58 110.21 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -42.03 151.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.47 55.8 21.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -145.5 152.23 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -102.91 111.53 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.55 152.14 29.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 m -124.77 162.43 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.631 ' CD2' HG21 ' A' ' 47' ' ' VAL . 40.8 m-85 -143.27 169.25 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.407 ' NE2' ' HB3' ' A' ' 113' ' ' PRO . 10.4 tt0 -161.21 147.19 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.439 HG11 ' CB ' ' A' ' 49' ' ' TRP . 40.9 t -137.93 142.42 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.5 t -150.87 128.06 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.42 114.67 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.914 ' HB3' HG23 ' A' ' 110' ' ' THR . 11.8 ptp -112.58 144.98 41.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.8 p -116.17 -175.48 2.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.04 -22.06 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.33 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.25 -162.31 24.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HB3' ' A' ' 105' ' ' MET . 0.2 OUTLIER -104.85 116.89 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.121 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.63 -172.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 144.26 53.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.407 ' HB3' ' NE2' ' A' ' 101' ' ' GLN . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.4 p -80.59 169.69 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -43.02 145.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CE2' ' OE1' ' A' ' 101' ' ' GLN . 40.9 m95 -84.71 102.22 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -88.25 151.73 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.6 m -137.49 144.77 42.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 37' ' ' LEU . . . -140.83 138.86 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -104.66 131.55 51.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.5 p -78.17 143.28 64.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.538 0.685 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.577 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.76 121.74 8.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.91 -40.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.2 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.82 113.29 3.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m -76.97 -47.07 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' THR . . . -68.54 128.49 93.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.555 0.693 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.81 26.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.17 44.44 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.62 158.77 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.688 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 t-20 68.01 46.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.28 90.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 t -133.19 163.64 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 100' ' ' PHE . 56.5 mt -107.7 147.37 30.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -126.97 131.48 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -100.0 109.23 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.0 t -98.48 -44.55 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -148.93 -176.93 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.5 p -73.96 -39.03 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -112.01 30.54 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -153.43 131.26 11.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 121' ' ' THR . 70.5 mt -143.41 126.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.04 146.85 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.4 t -136.85 119.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -118.23 171.57 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.974 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.2 p90 -169.46 164.77 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 34' ' ' ASN . 84.2 mt -133.66 154.43 80.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.78 20.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.07 69.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' GLY . 30.8 t -50.62 -54.36 23.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.34 -68.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 30' ' ' ALA . 27.5 p -62.68 -47.22 84.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.314 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -38.13 99.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.67 35.92 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -177.47 38.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -103.13 105.25 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.65 131.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -117.18 -40.49 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.25 -162.2 12.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -144.92 154.54 42.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -117.04 124.14 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.974 HD11 ' CH2' ' A' ' 49' ' ' TRP . 11.1 mt -112.31 114.64 47.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 12.3 ttm105 -115.12 124.42 51.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -110.55 141.54 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.2 ttp180 -118.82 148.59 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 19.4 tptp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.731 0.3 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -90.66 127.38 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -143.79 132.11 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -124.65 142.37 51.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 4.0 tp10 -133.83 102.28 12.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.6 Cg_endo -69.79 -29.81 23.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -38.1 -65.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 57.4 m-80 -141.32 179.3 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 3.2 mt -91.64 29.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 62.2 p-90 -141.03 141.4 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.555 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.0 t80 -134.07 118.09 17.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -95.92 109.27 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 72.4 m-85 -92.88 144.58 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.0 p -139.29 159.93 41.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.06 56.11 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.6 mt -113.62 164.28 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.5 150.12 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.35 147.77 25.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.42 42.53 95.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.6 m -131.0 -175.68 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' OE1' HG21 ' A' ' 118' ' ' THR . 12.2 tt0 -122.58 145.17 48.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 70' ' ' LYS . 56.9 m-85 -144.25 131.03 20.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 m -100.13 157.16 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 37' ' ' LEU . 96.4 m-85 -152.1 158.18 42.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -153.69 167.79 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.8 t -138.37 139.23 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.1 p -138.23 133.39 33.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 119.51 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.4 ' HG3' HG23 ' A' ' 110' ' ' THR . 22.5 mtm -97.92 137.66 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.8 p -126.72 177.4 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -55.16 -17.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -88.28 -60.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.17 -126.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 105' ' ' MET . 4.3 m -132.01 144.72 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.5 -173.94 50.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.533 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.96 55.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.58 2.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASN . 98.3 p -49.55 161.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 81.5 m-20 -37.7 146.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -80.55 91.2 5.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 59.3 m-85 -79.72 146.26 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.413 HG21 ' OE1' ' A' ' 97' ' ' GLN . 18.5 m -134.23 149.54 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.46 131.96 20.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.86 126.97 38.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 45' ' ' ILE . 68.0 p -74.7 143.28 78.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 124.04 10.69 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.16 -41.05 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.77 157.64 59.68 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 t -112.82 -16.38 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.66 123.59 38.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 169.79 18.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.02 69.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -104.22 174.17 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.711 ' CB ' HD23 ' A' ' 50' ' ' LEU . 29.0 m-20 44.87 50.73 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 92.9 t -99.23 85.74 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 160.59 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 47' ' ' VAL . 8.7 mt -115.28 158.03 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' ILE . 21.7 tt0 -134.13 143.0 47.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG11 ' HD3' ' A' ' 122' ' ' PRO . 64.6 t -93.55 100.02 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG12 ' OD1' ' A' ' 41' ' ' ASN . 99.4 t -78.72 -46.28 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.506 ' OD1' HG12 ' A' ' 40' ' ' VAL . 34.0 m120 -157.62 178.86 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -70.37 -15.91 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -129.56 10.65 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 m -140.66 140.13 34.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 38' ' ' GLU . 44.7 mt -141.34 129.67 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -91.65 135.48 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 37' ' ' LEU . 76.9 t -129.64 147.83 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -149.99 170.68 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.825 ' C ' HD22 ' A' ' 50' ' ' LEU . 44.0 p90 -168.65 162.7 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 49' ' ' TRP . 3.7 mm? -132.56 154.51 81.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.48 21.45 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.42 28.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -46.07 114.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.48 -9.02 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -125.79 5.24 7.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -107.08 43.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -37.79 -52.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.23 134.21 13.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.11 97.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.06 127.59 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -104.54 -43.68 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.54 -163.88 13.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.679 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 1.2 m-85 -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.981 0.42 . . . . 0.0 110.881 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.87 122.73 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.81 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.7 mt -110.15 119.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -120.82 142.26 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -138.46 154.63 48.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -145.91 148.56 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.3 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -136.29 132.51 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.1 m -151.5 140.25 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' A' ' 105' ' ' MET . 4.4 pp -124.41 152.16 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -136.16 104.67 9.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.03 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -42.9 -70.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -140.24 174.33 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.679 HD22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -85.85 26.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -139.1 143.28 38.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 2.5 t80 -134.39 108.54 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.452 HD13 HG23 ' A' ' 90' ' ' THR . 2.0 tm? -88.71 104.86 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 56.9 m-85 -85.99 145.08 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 88' ' ' LEU . 68.9 p -142.39 157.93 44.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.5 45.9 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.17 175.92 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.16 151.77 21.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -91.04 164.03 14.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.01 38.59 89.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -131.99 172.93 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -122.27 112.19 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -113.37 157.01 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -132.88 164.08 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' HB2' HD21 ' A' ' 37' ' ' LEU . 93.0 m-85 -144.28 166.53 24.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.687 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 15.1 tt0 -156.09 139.58 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 49' ' ' TRP . 77.5 t -122.9 136.67 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.91 140.06 46.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.09 115.7 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.719 ' CG ' HG23 ' A' ' 110' ' ' THR . 34.7 mtm -92.64 140.62 29.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.3 p -123.66 159.21 29.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -44.59 -23.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -88.45 -72.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.45 -178.58 22.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.719 HG23 ' CG ' ' A' ' 105' ' ' MET . 1.2 m -76.94 156.91 31.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.132 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -94.34 -176.83 38.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.1 52.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.8 Cg_endo -69.75 115.1 3.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -61.15 166.2 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.411 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 6.4 t-20 -42.1 161.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.687 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 63.1 m95 -101.79 92.58 4.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.432 ' O ' HD11 ' A' ' 37' ' ' LEU . 68.8 m-85 -81.34 119.54 23.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 m -97.47 136.53 37.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -123.93 130.69 53.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.91 126.4 44.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.6 p -78.42 146.74 70.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.84 108.17 2.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -39.93 -38.04 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.653 0.739 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.77 174.01 10.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -129.96 -3.29 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 131.42 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 164.84 33.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.76 26.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -119.14 162.22 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.562 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.8 t-20 67.83 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -86.88 91.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -135.34 168.11 19.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.59 147.85 43.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -133.02 131.75 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.41 HG11 ' HD3' ' A' ' 122' ' ' PRO . 87.5 t -87.85 100.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.523 HG12 ' OD1' ' A' ' 41' ' ' ASN . 95.1 t -79.23 -44.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.523 ' OD1' HG12 ' A' ' 40' ' ' VAL . 35.3 m120 -152.93 -177.18 6.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 p -70.71 -25.01 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -125.88 16.96 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -140.46 132.09 27.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.84 133.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.36 141.2 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -141.44 132.14 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -130.21 -178.7 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.851 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.4 p90 -171.6 171.27 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 34' ' ' ASN . 47.7 mt -141.35 156.13 67.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 156.69 62.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 139.64 41.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.6 p -45.08 168.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -55.34 4.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 p -70.3 -41.13 73.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 73.7 mt-30 -37.56 135.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -105.26 -52.55 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.26 155.31 21.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.96 111.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 20.9 mt -55.02 106.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.4 p -84.33 -35.83 22.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -162.29 -169.15 25.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 2.6 m-85 -137.95 136.87 37.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -94.71 116.46 28.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.851 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.7 mt -107.13 116.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -111.3 130.62 55.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 100' ' ' PHE . 26.5 p80 -134.15 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.15 164.66 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.6 mmm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.88 126.24 35.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 m -142.77 138.82 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' HE3' ' A' ' 105' ' ' MET . 4.5 pp -125.34 151.86 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -133.36 101.67 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HD3' HD12 ' A' ' 80' ' ' LEU . 54.0 Cg_endo -69.77 -27.69 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -45.73 -69.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -132.0 -179.2 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 12.9 mt -89.93 27.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 41.6 p-90 -145.94 158.01 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -135.86 117.05 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.91 104.68 16.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 p -144.18 145.74 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.25 57.4 1.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.89 172.69 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -98.05 131.27 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -71.09 143.09 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.36 38.18 80.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -131.07 166.74 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -113.35 130.96 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -134.99 145.35 48.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 p -122.31 156.72 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 94.3 m-85 -137.51 178.55 7.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -162.36 156.81 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 49' ' ' TRP . 46.2 t -135.46 142.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -145.39 136.61 24.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.74 104.1 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.687 ' HG2' HG23 ' A' ' 110' ' ' THR . 48.6 mtm -88.57 121.42 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 159.0 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -45.56 -21.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -76.29 -45.45 32.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.48 -122.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' HG2' ' A' ' 105' ' ' MET . 25.5 m -130.11 119.52 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.473 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -62.23 -178.27 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 148.28 64.23 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 144.4 54.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -88.8 177.9 6.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 34.2 m120 -56.81 155.49 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -94.29 91.33 6.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 115' ' ' ASN . 95.8 m-85 -84.01 140.94 31.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.7 m -119.45 148.1 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.8 130.13 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -96.82 134.12 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -83.81 143.71 43.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.76 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -40.41 -42.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 54.2 Cg_endo -69.79 170.62 16.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -128.99 11.04 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.15 122.04 19.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 166.28 28.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.76 153.1 69.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.758 2.306 . . . . 0.0 112.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.26 170.4 9.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER 48.02 48.55 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' PRO . 48.8 t -95.05 95.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -140.53 169.41 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 47' ' ' VAL . 87.5 mt -116.32 159.15 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -148.98 119.85 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.939 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.9 t -90.81 110.47 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.8 -44.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.08 163.28 32.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -58.97 -24.67 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 25.16 6.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -147.78 123.09 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.449 HD11 HG22 ' A' ' 121' ' ' THR . 53.1 mt -134.59 133.07 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.6 tttp -103.12 147.79 26.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 37' ' ' LEU . 85.3 t -134.28 122.45 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.4 m -118.74 159.33 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 66' ' ' ILE . 44.8 p90 -156.16 141.72 17.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.6 mm? -109.22 158.75 33.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.19 68.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 54.2 Cg_endo -69.74 168.91 20.16 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 t -43.71 140.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.47 -61.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ASN . 16.4 p -55.13 -52.48 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.189 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 81.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.0 t30 -76.95 58.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.77 43.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.21 108.14 20.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.59 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 79.3 mt -64.36 77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -26.43 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.11 -160.14 23.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 39.1 m-85 -142.07 154.97 45.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -114.12 145.17 42.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.069 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.4 mt -126.02 104.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB3' ' CG ' ' A' ' 101' ' ' GLN . 3.8 tpp85 -91.94 120.34 32.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -125.08 165.5 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -162.38 166.45 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 19.3 tptm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.76 0.315 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.21 147.96 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.4 m -157.04 135.39 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.3 pp -135.61 144.78 46.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.58 101.63 11.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.74 -29.82 23.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -39.1 -64.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -135.84 -175.69 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 64' ' ' TYR . 6.5 mt -97.26 24.2 6.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 61.3 p-90 -141.34 141.62 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -133.19 132.11 41.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.53 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.5 tm? -112.03 111.08 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -90.14 148.03 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.481 HG23 ' CD1' ' A' ' 88' ' ' LEU . 76.6 p -145.04 136.78 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.88 36.87 1.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.78 172.93 7.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.58 139.37 32.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -74.59 143.8 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.6 47.95 78.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 m -143.61 167.83 21.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 24.6 tt0 -106.84 158.83 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 32.5 m-85 -153.73 140.52 19.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.8 m -107.69 148.07 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -147.21 167.35 24.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.475 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 1.7 pt20 -165.85 170.54 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 49' ' ' TRP . 63.8 t -136.79 138.22 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 m -135.19 125.45 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.33 110.36 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.424 ' HE2' ' C ' ' A' ' 64' ' ' TYR . 16.2 mtm -86.0 124.09 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ASN . 18.8 p -108.08 156.52 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -39.39 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' THR . 70.2 m-80 -81.1 -68.33 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.0 -176.71 36.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.99 139.9 58.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.41 -164.85 40.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.79 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.6 p -48.47 170.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.09 144.37 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.475 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 76.0 m95 -76.41 92.09 3.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -82.06 132.73 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 98' ' ' TYR . 49.7 m -111.75 142.44 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.29 140.3 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -104.44 128.29 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.449 HG22 HD11 ' A' ' 45' ' ' ILE . 68.8 p -82.73 140.43 43.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.939 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.8 120.13 6.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.3 -32.78 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -150.85 167.22 28.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -94.99 97.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.95 93.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -147.9 156.88 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -132.23 115.03 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.84 159.39 3.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -106.09 171.99 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.34 165.24 24.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -52.88 156.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.54 147.11 16.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.06 2.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.29 103.69 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.51 170.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 p -165.87 136.54 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -171.65 159.25 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -157.5 106.75 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.47 162.93 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.5 mm -91.57 132.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 p -101.66 158.88 15.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.89 114.3 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.1 p -121.79 31.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 t -78.84 142.81 36.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.48 145.15 25.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -120.41 148.15 44.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -114.3 16.54 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -67.91 152.02 96.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.621 0.724 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.68 41.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -125.83 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.18 141.06 1.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 111.057 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.98 22.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.6 Cg_endo -69.74 173.0 11.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -120.29 168.77 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.2 m120 54.89 42.28 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 32' ' ' PRO . 95.6 t -96.68 93.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -131.39 169.99 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.31 149.09 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.98 110.65 4.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.786 HG11 ' HD3' ' A' ' 122' ' ' PRO . 90.3 t -79.19 112.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' OD1' ' A' ' 41' ' ' ASN . 20.1 t -84.73 -44.86 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -138.04 -179.91 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -67.16 -38.3 85.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -119.25 34.85 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -152.53 133.02 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -146.13 133.42 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' CA ' HD12 ' A' ' 88' ' ' LEU . 28.0 tttt -105.48 123.5 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -108.08 122.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 p -109.3 166.26 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.565 ' HB3' HG21 ' A' ' 102' ' ' VAL . 34.0 p90 -174.61 171.1 3.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 34' ' ' ASN . 47.9 mt -144.28 156.64 57.5 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.01 36.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.45 63.33 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.1 p -75.47 58.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.04 -36.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -87.8 -51.58 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.59 132.31 46.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -95.22 -50.69 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.46 146.7 23.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CE1' HG11 ' A' ' 107' ' ' VAL . 13.8 p90 -61.69 105.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' PHE . 22.5 mm -35.38 121.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.3 p -95.88 -46.4 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -153.02 -159.88 9.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 11.5 m-85 -147.97 144.02 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -98.99 141.54 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -131.37 127.55 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -128.85 114.17 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 25.3 p80 -102.9 148.54 25.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 56.1 mtp180 -125.0 147.92 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 98' ' ' TYR . 1.2 tmtp? -119.05 145.71 45.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.446 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 1.8 t -73.4 65.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 73' ' ' ARG . 7.2 m -159.83 167.69 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.552 ' N ' HG22 ' A' ' 72' ' ' THR . 78.4 mtm180 -36.25 146.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -34.41 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.29 44.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -65.74 -176.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.567 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 51.1 mtp -158.7 128.26 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -99.52 146.78 26.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 m -160.87 148.69 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.91 146.06 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.7 tt0 -134.15 101.58 12.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.76 -22.24 32.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -48.01 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -126.4 -179.72 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.616 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.9 mt -98.2 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -155.24 140.33 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.4 120.23 15.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 46' ' ' LYS . 5.4 tp -96.58 119.71 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.65 114.09 27.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 p -117.72 140.48 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.82 10.42 6.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 17.8 mt -75.34 -175.54 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -112.9 -178.87 3.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -94.52 161.93 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.38 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -119.01 179.64 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -137.45 126.8 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 60.0 m-85 -129.04 146.07 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -125.32 149.6 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -134.61 174.08 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.48 ' OE1' ' CZ2' ' A' ' 116' ' ' TRP . 7.3 pt20 -163.94 134.11 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 49' ' ' TRP . 92.2 t -107.4 141.4 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -136.44 129.25 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.42 133.76 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.402 ' HE3' ' C ' ' A' ' 64' ' ' TYR . 22.1 mtm -115.75 126.56 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -110.24 -178.05 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.479 HG11 ' CE1' ' A' ' 60' ' ' PHE . 18.2 m -64.15 -22.89 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.52 -63.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.58 -159.07 11.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -85.13 141.8 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.26 176.89 40.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.62 26.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.33 14.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.9 p -111.48 -179.25 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -47.38 147.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 69' ' ' ARG . 46.2 m95 -82.1 91.83 6.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -76.38 126.82 31.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 m -108.89 150.73 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.1 140.88 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.3 145.93 37.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.0 p -86.0 148.69 48.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.786 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.3 mt-10 -35.66 -43.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -64.27 175.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.824 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -97.53 155.99 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.88 -71.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -132.33 175.87 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -154.84 177.82 10.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.23 111.83 1.04 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.25 130.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 1.3 mpp_? -81.67 158.64 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 9.7 m-85 -162.93 168.11 21.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.87 154.99 16.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.78 52.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.745 2.297 . . . . 0.0 112.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.38 -137.23 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.08 142.52 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -99.72 173.31 6.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 17' ' ' ASP . 30.7 m -134.07 158.93 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' N ' HG22 ' A' ' 16' ' ' THR . 9.0 p-10 -107.53 151.5 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -123.67 179.7 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 19' ' ' ILE . 2.4 pp -129.67 142.08 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 p -149.3 142.5 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.91 98.5 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 22' ' ' VAL . 5.5 p -95.15 33.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -80.34 141.22 35.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 25' ' ' SER . 1.7 tp -125.02 127.68 47.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.52 ' N ' HD12 ' A' ' 24' ' ' LEU . 18.2 p -163.96 176.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.45 0.69 9.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -41.55 151.63 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.74 158.34 57.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -109.5 8.95 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.08 139.4 15.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 111.079 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -132.18 162.64 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.659 ' HB2' HD12 ' A' ' 50' ' ' LEU . 54.5 t-20 59.15 50.94 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.76 93.32 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -149.43 163.8 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 100' ' ' PHE . 15.3 mt -107.14 153.8 22.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -135.89 120.48 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.736 HG11 ' HD3' ' A' ' 122' ' ' PRO . 60.0 t -88.32 95.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.57 -35.88 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -159.23 -175.18 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -73.94 -20.07 60.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 4.7 ptp180 -130.82 25.11 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -149.19 131.59 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.2 mt -138.52 122.56 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 16.7 tptm -90.33 143.77 26.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.33 140.51 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 p -139.85 171.64 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.861 ' CH2' HD11 ' A' ' 66' ' ' ILE . 42.1 p90 -167.23 173.27 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 34' ' ' ASN . 8.3 mt -144.07 158.48 55.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.361 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.94 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.38 67.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.2 p -51.2 165.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.32 -59.31 4.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.6 p -64.39 -30.42 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -53.32 116.4 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.01 -26.59 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.6 151.72 22.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -53.58 116.22 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.552 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 mp -57.88 102.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -66.62 -33.9 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.89 -152.25 7.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.552 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 89.4 m-85 -150.12 156.6 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 110' ' ' THR . 17.3 ttmm -126.28 128.41 47.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.861 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.1 mt -110.1 118.23 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -103.97 123.52 47.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -139.05 143.76 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -156.72 149.13 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -84.81 154.53 22.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 71' ' ' THR . 9.1 t -74.2 70.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 73' ' ' ARG . 26.4 m -131.69 163.79 27.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.554 ' N ' HG22 ' A' ' 72' ' ' THR . 8.3 mpt_? -34.9 -52.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -163.53 138.87 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.78 93.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -129.43 139.11 51.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 37.7 ttp -122.1 161.84 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.2 146.33 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 m -156.78 132.23 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.1 pp -135.34 141.9 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 83' ' ' ASN . 3.8 tp10 -134.87 101.57 11.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.73 -32.04 19.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.422 ' HB2' ' CD ' ' A' ' 81' ' ' GLU . 11.3 m-80 -44.02 -69.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -120.78 168.61 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -92.28 28.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.44 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 49.5 p-90 -145.65 139.0 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 66' ' ' ILE . 12.6 t80 -137.37 122.61 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.04 136.84 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.78 128.68 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.0 p -123.46 155.79 36.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.25 36.58 5.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.46 164.15 12.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 163.32 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -86.31 157.72 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.38 51.41 6.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -130.68 166.56 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.31 151.27 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 118' ' ' THR . 77.5 m-85 -152.55 158.73 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 m -130.53 158.54 39.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.672 ' HB2' HD21 ' A' ' 37' ' ' LEU . 82.8 m-85 -148.83 168.85 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.417 ' OE1' ' CE2' ' A' ' 116' ' ' TRP . 5.5 tt0 -163.62 160.08 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.63 134.57 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -133.1 121.45 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.08 116.51 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.5 mtm -87.64 131.92 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 p -119.19 -177.34 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.93 -14.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.55 -65.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.73 -163.78 23.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 65' ' ' LYS . 12.4 p -68.53 152.4 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.442 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.66 -162.25 34.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.24 39.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 112.48 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.749 2.3 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.1 p -73.62 158.68 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -41.33 131.84 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.417 ' CE2' ' OE1' ' A' ' 101' ' ' GLN . 49.7 m95 -74.4 104.45 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -85.76 158.23 20.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 98' ' ' TYR . 4.8 m -137.83 150.77 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.38 143.35 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -109.79 140.41 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.7 p -84.91 143.68 40.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.736 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.49 -37.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -155.67 157.08 36.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -170.31 175.79 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.47 146.4 4.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -172.76 141.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -163.26 169.34 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.68 147.46 5.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 5.5 p30 -173.06 113.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -138.72 107.57 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.63 161.92 41.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.21 85.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.32 56.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.39 78.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -173.26 125.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.6 p -126.7 42.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -122.95 45.09 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -133.55 163.92 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.0 mt -85.63 139.93 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -149.2 155.25 40.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.75 148.07 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.7 p -130.47 46.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -98.82 112.19 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -110.15 114.28 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 m -146.7 152.75 39.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.31 27.17 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -87.41 151.37 50.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 112' ' ' PRO . 54.1 Cg_endo -69.71 167.56 24.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -121.78 -23.33 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.46 140.51 21.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 178.78 4.27 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -118.49 167.99 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.552 ' CG ' HD12 ' A' ' 50' ' ' LEU . 6.0 m120 48.7 53.76 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.6 t -98.08 88.25 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -128.76 166.38 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 100' ' ' PHE . 29.9 mt -132.55 124.12 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -113.85 129.27 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HD3' ' A' ' 122' ' ' PRO . 92.4 t -86.62 99.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.14 -48.8 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -142.98 -176.43 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 t -74.18 -15.08 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -126.9 -3.84 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -122.77 149.07 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mt -147.09 132.68 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 88' ' ' LEU . 32.9 tptt -95.05 124.77 39.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.45 128.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -136.76 164.29 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.2 p90 -163.1 -178.62 6.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 34' ' ' ASN . 30.3 mt -153.72 156.07 31.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.59 45.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.96 17.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.77 46.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.7 m -51.16 130.1 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.41 -39.33 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 p -76.6 -42.11 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.44 148.0 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -126.88 -31.76 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.701 ' O ' HG22 ' A' ' 106' ' ' THR . . . -112.32 120.06 5.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . 23.6 p90 -36.15 118.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.8 mp -59.22 102.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.2 p -68.04 -45.02 75.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.83 -160.0 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.639 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.0 m-85 -142.08 137.81 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.933 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -95.51 125.12 39.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 49' ' ' TRP . 9.4 mt -116.88 107.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -109.89 131.2 55.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -130.46 153.41 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -148.93 148.65 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -83.36 167.88 17.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -10.4 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.6 t -98.57 20.0 13.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.44 42.63 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.5 171.59 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.93 104.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -59.15 124.96 21.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 18.1 mmm -95.74 176.91 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HG3' ' C ' ' A' ' 77' ' ' MET . 13.5 mt-10 -145.28 113.64 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.443 HG21 ' CE2' ' A' ' 87' ' ' TYR . 7.6 m -123.71 136.91 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.5 pp -138.27 128.3 25.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.6 tt0 -131.78 101.55 15.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.726 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.75 -33.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -39.76 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 27.7 m120 -118.68 155.9 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mt -83.8 36.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 69.1 p-90 -157.74 146.97 19.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.9 t80 -135.1 110.07 8.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -83.08 115.43 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.483 ' N ' HD13 ' A' ' 88' ' ' LEU . 57.8 m-85 -98.96 144.26 28.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.8 p -141.49 159.79 41.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.27 50.35 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.95 161.56 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.03 135.39 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -74.13 148.12 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.36 61.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -123.59 151.12 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -88.9 155.61 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -156.16 164.16 38.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.4 m -131.96 158.48 41.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 37' ' ' LEU . 91.3 m-85 -144.49 168.77 19.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.431 ' OE1' ' NE1' ' A' ' 116' ' ' TRP . 23.2 tt0 -156.62 140.7 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 49' ' ' TRP . 58.4 t -127.82 133.04 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -135.99 148.7 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.96 111.32 23.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.4 mtm -86.57 127.35 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 59' ' ' GLY . 18.5 p -108.36 -176.41 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.26 -16.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.96 -69.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.4 -155.46 7.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.2 m -84.81 125.62 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -66.03 -167.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.47 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 53.5 Cg_endo -69.74 132.76 24.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.99 2.69 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t -53.64 149.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.6 m120 -42.91 126.64 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.431 ' NE1' ' OE1' ' A' ' 101' ' ' GLN . 50.5 m95 -62.11 103.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 78.5 m-85 -84.32 163.98 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.6 m -132.23 124.88 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -116.47 133.12 56.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.72 136.85 47.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.8 p -88.31 143.63 32.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.772 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.72 110.22 2.49 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.1 mt-10 -35.92 -41.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -157.58 175.52 13.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -163.46 176.94 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.6 145.67 5.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.428 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -172.7 166.43 5.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -171.07 179.97 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 174.32 42.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -143.37 114.99 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -85.23 137.9 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -172.79 142.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.26 84.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 161.91 16.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 15' ' ' SER . 77.9 t -143.28 155.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.456 ' N ' HG12 ' A' ' 14' ' ' VAL . 1.2 t -134.03 157.67 45.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -164.01 127.07 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -144.39 154.44 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -112.11 -179.48 3.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.66 153.55 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -124.6 171.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.93 91.9 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.1 m -111.04 52.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 23' ' ' THR . 5.2 m -92.63 23.97 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt 42.42 44.87 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -65.0 147.41 53.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' CB ' ' CG ' ' A' ' 108' ' ' ASN . 3.1 m-20 -66.3 -45.37 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' ASP . 14.9 m -34.71 151.29 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 54.1 Cg_endo -69.67 164.45 34.42 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 t -125.83 27.16 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.45 142.83 13.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 169.81 18.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -163.99 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.755 2.303 . . . . 0.0 112.379 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -133.88 160.91 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.823 ' HB2' HD12 ' A' ' 50' ' ' LEU . 40.4 t30 54.96 48.67 19.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.22 85.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.79 165.13 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 47' ' ' VAL . 44.7 mt -125.8 129.06 48.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -110.99 130.98 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG11 ' HD3' ' A' ' 122' ' ' PRO . 57.8 t -78.73 108.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.798 HG21 ' CD2' ' A' ' 88' ' ' LEU . 10.6 t -79.91 -42.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 61.2 m-20 -167.06 -178.5 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -58.14 -29.46 65.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -129.09 35.32 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -153.85 139.49 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -143.75 127.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -90.52 122.82 33.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 37' ' ' LEU . 60.4 t -108.16 131.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -127.36 159.6 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.796 ' CH2' HD11 ' A' ' 66' ' ' ILE . 23.8 p90 -168.4 158.86 10.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 34' ' ' ASN . 21.6 mt -130.81 157.8 76.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 154.99 67.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.38 21.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.25 42.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -46.57 -45.19 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.56 -62.84 2.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -65.08 -41.41 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -45.47 123.05 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.69 -24.16 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.54 167.89 19.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -76.07 120.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.56 142.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -120.22 -41.52 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.78 -169.89 34.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.1 m-85 -130.86 145.79 52.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -102.17 121.76 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.796 HD11 ' CH2' ' A' ' 49' ' ' TRP . 7.1 mt -113.86 111.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -119.38 138.79 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -125.79 160.29 30.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.822 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.33 156.29 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 23.0 tptp -107.47 130.4 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -56.62 -33.89 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -82.11 -73.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -70.04 143.61 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -93.9 59.2 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.52 131.58 7.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -113.83 164.76 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.3 tpp -164.65 118.27 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -97.02 152.3 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -160.13 127.91 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.438 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.5 pp -112.94 146.12 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.4 tp10 -134.18 101.54 12.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.73 -24.03 30.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -48.24 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 45.1 m-80 -124.72 -177.15 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 15.7 mt -95.39 17.86 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.546 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.5 p-90 -133.04 157.9 44.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.798 ' CD2' HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -98.42 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.516 ' N ' HD13 ' A' ' 88' ' ' LEU . 92.0 m-85 -90.65 148.27 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 88' ' ' LEU . 74.3 p -146.1 137.36 24.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.68 28.08 4.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 177.07 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.317 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.67 147.93 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -82.29 151.29 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.59 66.15 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -154.99 171.39 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.19 134.13 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 30.7 m-85 -131.03 156.02 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 1.5 t -127.39 151.21 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 99' ' ' SER . 6.8 m-85 -141.47 168.41 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.608 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 6.4 tt0 -155.3 135.15 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.618 HG11 ' CB ' ' A' ' 49' ' ' TRP . 25.3 t -121.05 131.68 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 168.72 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.88 112.63 18.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.783 ' HG3' HG23 ' A' ' 110' ' ' THR . 3.1 mpp? -95.61 140.87 29.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 p -115.96 179.93 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.16 -16.7 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.503 ' CG ' ' CB ' ' A' ' 26' ' ' ASP . 4.0 m120 -91.96 -69.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.25 -170.11 21.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 105' ' ' MET . 14.2 m -79.72 138.45 37.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.428 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -79.99 -176.64 49.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 146.41 59.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.74 46.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -89.97 155.17 19.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -38.37 141.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.608 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 69.1 m95 -81.76 95.24 7.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.92 125.43 29.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -103.0 128.78 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.5 142.61 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -107.0 151.84 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.6 p -102.39 144.07 27.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.71 133.23 25.15 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.92 -29.52 60.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -148.49 178.14 8.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -112.59 -49.67 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.84 119.04 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -174.54 133.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -174.73 167.59 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 97.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -173.8 161.85 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -153.88 147.68 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CD2' ' HD3' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -160.2 165.19 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.57 86.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.492 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.83 -40.58 5.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.64 157.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.5 p -172.02 116.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.144 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.5 p -67.61 176.09 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -159.28 137.96 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -162.29 159.77 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.96 -178.88 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 19' ' ' ILE . 16.2 mt -127.15 39.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -67.2 160.98 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.01 142.97 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 22' ' ' VAL . 22.3 t -107.77 46.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -103.95 134.15 47.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.54 149.46 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -151.05 178.77 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.3 70.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.7 158.58 42.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.76 146.28 59.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -115.09 -29.46 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.41 120.71 76.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 165.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.7 20.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.1 174.99 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 t30 51.45 38.41 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -87.76 87.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 m -137.25 162.95 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 100' ' ' PHE . 61.0 mt -114.18 136.24 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -121.39 144.6 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.599 HG11 ' HD3' ' A' ' 122' ' ' PRO . 72.1 t -103.38 127.07 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.56 -36.98 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -144.11 -178.95 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 m -76.44 -20.48 57.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.05 3.67 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.93 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 92' ' ' LEU . 62.1 mt -138.24 131.66 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -98.42 147.98 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.13 126.72 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 p -121.14 162.41 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.902 ' CH2' HD11 ' A' ' 66' ' ' ILE . 45.6 p90 -161.02 157.81 26.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -131.58 155.39 81.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.14 64.29 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.49 34.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.44 66.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -56.02 168.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.75 -46.24 3.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -85.94 -26.17 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -55.52 124.73 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -113.26 57.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.12 176.65 14.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -92.88 102.98 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.8 mp -54.1 106.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.2 p -87.54 -50.02 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 -153.71 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.665 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.0 m-85 -152.39 147.25 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -108.08 110.76 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.902 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.5 mt -98.92 106.32 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -98.36 125.77 43.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -136.52 171.0 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -170.91 163.73 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -116.82 156.09 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.4 t -81.6 -175.52 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.3 p 38.62 38.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 154.38 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.34 136.51 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.36 56.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' ' 77' ' ' MET . 11.6 tm-20 -46.57 156.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.402 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 5.5 ttt -145.27 162.44 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -146.1 161.62 39.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 80' ' ' LEU . 96.4 m -156.25 152.85 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -129.19 140.49 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.5 tp10 -134.68 101.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.78 -29.35 23.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 12.5 m-80 -36.61 -64.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -146.96 174.4 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 9.0 mt -84.46 35.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -149.84 140.45 22.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -137.14 119.87 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.2 tm? -94.79 103.28 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -82.14 147.23 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 p -144.27 152.29 40.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.38 47.41 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD13 HD12 ' A' ' 45' ' ' ILE . 11.1 mt -108.48 138.94 43.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.97 146.08 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.58 148.39 42.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.27 72.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 m -158.83 155.14 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -86.86 140.54 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -139.57 131.62 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -104.99 155.67 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 37' ' ' LEU . 48.8 m-85 -145.44 175.49 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -169.11 165.4 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.891 HG11 ' CB ' ' A' ' 49' ' ' TRP . 43.0 t -149.39 135.43 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 t -135.83 142.47 44.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.73 111.77 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.1 mtm -89.18 133.66 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.8 p -114.81 165.46 12.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.1 p -49.46 -18.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -90.72 -75.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.86 -162.45 10.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.2 m -95.86 141.14 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.77 -165.68 39.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.47 65.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 126.82 13.77 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.4 t -69.6 154.2 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.3 m120 -37.48 130.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -73.34 108.22 6.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 92.1 m-85 -96.38 158.72 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.2 m -137.89 140.43 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.75 142.74 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -105.52 128.13 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.3 p -78.93 140.04 57.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.133 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.599 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.4 Cg_endo -69.71 109.67 2.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 122' ' ' PRO . 24.1 mm-40 -36.36 -40.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -162.72 157.55 21.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -175.01 169.63 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.53 163.71 27.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -174.65 160.96 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -170.11 179.06 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.36 -151.33 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -153.59 172.37 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -167.59 144.53 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -127.33 172.21 10.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.92 143.68 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -169.71 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.58 130.38 4.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -91.8 170.0 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -121.37 -176.93 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -147.73 168.49 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.76 172.39 7.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -140.69 154.41 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.7 pt -46.99 141.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 p -135.83 114.75 12.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG13 ' H ' ' A' ' 23' ' ' THR . 11.3 p -84.22 159.34 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 22' ' ' VAL . 14.4 t -72.0 1.47 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.586 ' H ' HG13 ' A' ' 21' ' ' VAL . 2.6 m -98.94 26.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD12 ' H ' ' A' ' 25' ' ' SER . 1.4 tp -114.76 151.59 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.742 ' H ' HD12 ' A' ' 24' ' ' LEU . 43.4 m 61.43 53.69 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 108' ' ' ASN . 14.4 m-20 -79.9 51.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.34 158.02 54.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.82 55.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -125.1 34.31 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.25 139.3 17.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.84 40.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.5 Cg_endo -69.79 179.34 3.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -122.69 158.85 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.674 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.6 t-20 57.63 40.23 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG21 ' HG2' ' A' ' 32' ' ' PRO . 77.0 t -84.19 99.92 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.9 t -139.24 158.31 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.52 131.95 54.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 45' ' ' ILE . 3.9 mm-40 -108.6 161.97 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG11 ' HD3' ' A' ' 122' ' ' PRO . 88.5 t -112.92 95.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.592 HG12 ' OD1' ' A' ' 41' ' ' ASN . 44.3 t -68.77 -47.46 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.592 ' OD1' HG12 ' A' ' 40' ' ' VAL . 31.7 m120 -160.88 -175.49 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -66.14 -39.28 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -113.97 29.15 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -150.85 145.83 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 38' ' ' GLU . 70.5 mt -149.54 142.25 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -108.48 128.96 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.2 126.67 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.8 p -128.54 172.94 10.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.711 ' CB ' HG11 ' A' ' 102' ' ' VAL . 46.2 p90 -168.86 155.15 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.9 mm? -117.82 158.81 44.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 149.45 66.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.51 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -38.98 -53.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.05 -72.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 p -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.1 96.68 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -114.44 33.16 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.36 148.74 18.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -69.81 109.13 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 105' ' ' MET . 64.2 mt -70.41 119.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.9 p -92.45 -39.18 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.6 -159.34 9.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 32.4 m-85 -148.81 145.09 27.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -99.62 151.12 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.8 mt -134.54 109.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -99.87 121.58 41.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -122.33 127.83 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -137.69 151.97 48.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -100.65 152.85 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 72' ' ' THR . 10.0 t -82.57 -39.59 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 71' ' ' THR . 21.7 m -49.92 -44.33 50.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.48 162.1 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -95.19 126.26 40.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.77 146.09 5.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -120.76 143.25 48.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.97 124.62 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.56 138.6 31.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.1 m -159.78 113.77 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 82' ' ' PRO . 3.7 pp -118.16 137.97 52.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.9 101.61 51.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.668 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.77 -30.08 22.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -43.36 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 53.5 m-80 -141.87 -178.98 5.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 mt -91.69 43.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.432 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.6 p-90 -154.39 146.73 23.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.717 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 2.9 t80 -140.1 122.11 15.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.6 tm? -101.32 107.74 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.717 ' CE1' ' CD1' ' A' ' 87' ' ' TYR . 86.9 m-85 -89.68 150.73 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' CD1' ' A' ' 88' ' ' LEU . 22.8 p -152.4 148.9 28.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 20.65 8.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.2 173.71 9.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -109.98 153.93 23.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.54 166.23 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 41.12 70.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 p -153.03 179.93 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.49 120.02 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -120.6 138.82 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.2 m -106.05 160.55 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -147.82 173.6 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' NE2' ' HB3' ' A' ' 113' ' ' PRO . 16.2 tt0 -162.56 140.48 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.711 HG11 ' CB ' ' A' ' 49' ' ' TRP . 42.5 t -127.56 138.2 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -145.13 134.67 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -77.11 124.83 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.763 ' HG2' HG23 ' A' ' 110' ' ' THR . 17.2 mtm -102.38 144.72 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -127.57 167.58 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.22 -15.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 52.4 m-80 -88.53 -60.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.49 -150.34 6.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.763 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.0 OUTLIER -117.96 128.52 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.98 -171.24 19.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.4 57.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.446 ' HB3' ' NE2' ' A' ' 101' ' ' GLN . 53.1 Cg_endo -69.83 128.11 15.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 p -61.0 178.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -54.81 142.09 30.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -79.25 92.67 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.404 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 91.2 m-85 -80.72 163.17 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.021 0.439 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 49.1 m -145.66 140.6 27.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.57 131.41 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.73 125.66 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.3 p -63.98 143.89 98.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.8 108.81 2.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -37.32 -41.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.65 177.27 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.814 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -148.69 167.29 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.07 153.7 7.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -174.69 119.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -124.68 -61.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.45 -135.87 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.46 117.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -124.62 -175.25 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -92.77 -60.83 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.36 83.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.67 -158.84 11.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.1 t -140.35 150.51 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.0 m -128.36 152.48 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -140.62 122.75 15.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.4 166.78 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -110.61 172.07 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 mt -104.53 135.43 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.4 p -100.0 -179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.97 116.48 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.525 ' O ' HG22 ' A' ' 22' ' ' VAL . 10.5 p -107.05 39.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 141.41 42.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.68 106.89 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -56.3 166.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' CG ' ' OD1' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -94.73 -32.08 13.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.14 157.21 2.32 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.5 Cg_endo -69.76 139.81 41.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -113.67 43.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.8 4.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.81 143.49 50.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -95.72 160.8 14.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.81 54.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 35' ' ' VAL . 90.3 t -105.73 82.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -124.09 156.25 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 119' ' ' ALA . 20.4 mt -104.82 135.25 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 98.0 t -66.63 98.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' H ' ' A' ' 46' ' ' LYS . 46.8 t -68.75 -50.07 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' ND2' HG12 ' A' ' 40' ' ' VAL . 80.7 m-20 -155.43 -175.22 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -65.04 -34.61 78.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -119.23 31.63 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -154.97 139.21 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.634 HD12 HD13 ' A' ' 92' ' ' LEU . 95.6 mt -142.56 125.37 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' H ' HG23 ' A' ' 40' ' ' VAL . 22.7 tptp -91.2 132.1 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.51 118.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 t -123.27 169.0 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 86' ' ' TRP . 40.9 p90 -164.43 164.01 22.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.4 mt -129.53 156.22 78.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 160.53 49.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.53 27.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.38 12.76 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 p -68.49 147.73 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.08 -63.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -59.81 -24.22 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.727 0.299 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.56 121.43 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -110.39 -50.95 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.66 158.69 14.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -70.73 105.25 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 64' ' ' TYR . 44.1 mt -50.61 120.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -101.41 -6.81 23.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.05 -165.4 38.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.739 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.0 m-85 -144.4 139.78 28.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -89.18 130.98 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' CH2' ' A' ' 49' ' ' TRP . 35.5 mt -123.52 104.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtt-85 -101.03 121.09 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -113.6 118.32 34.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.1 ttt-85 -119.09 148.8 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 74.1 tttt -107.22 157.99 17.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -82.18 7.86 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.1 m -121.67 -57.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -69.09 142.17 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -102.46 87.22 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.41 164.49 34.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.536 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.25 103.09 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt -101.57 154.44 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.86 165.84 24.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 m -160.75 113.95 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.876 HD21 ' CE ' ' A' ' 105' ' ' MET . 11.2 mt -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tp10 -133.68 101.65 12.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -21.62 33.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.412 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 81' ' ' GLU . 27.8 m120 -44.54 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -147.73 -177.94 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 3.8 mt -83.72 34.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 42.1 p-90 -147.02 143.58 28.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.76 117.62 14.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -96.01 107.22 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -88.89 145.79 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 p -142.33 160.45 40.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.08 48.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 45' ' ' ILE . 11.5 mt -81.82 150.65 27.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.28 135.83 38.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -70.39 150.08 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.02 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -150.85 163.28 39.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 118' ' ' THR . 31.7 tt0 -110.0 133.35 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 118' ' ' THR . 61.6 m-85 -133.96 145.48 49.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.595 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 3.8 m -114.24 159.43 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 99' ' ' SER . 15.1 m-85 -154.34 155.01 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -149.89 122.86 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.532 HG11 ' CB ' ' A' ' 49' ' ' TRP . 93.0 t -97.9 144.06 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.5 p -151.44 138.13 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -88.47 118.04 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.876 ' CE ' HD21 ' A' ' 80' ' ' LEU . 40.0 mtm -98.15 144.94 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.0 p -125.98 177.98 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.26 -13.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 10.0 m-80 -93.11 -68.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -161.08 -150.15 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.584 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.1 m -109.31 125.31 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.462 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.15 -164.86 0.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.3 44.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.27 32.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.3 p -81.04 157.06 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 11.8 m120 -43.09 135.65 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -76.16 94.17 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 49.3 m-85 -85.42 150.29 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 97' ' ' GLN . 87.0 m -128.05 146.6 50.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -137.63 130.32 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -102.24 135.8 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -84.3 142.48 40.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.538 0.685 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.3 -39.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -164.48 148.09 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -165.55 172.41 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 178.52 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -169.32 136.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -160.09 174.12 14.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.26 129.88 1.08 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.37 126.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ttm105 -173.05 117.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -153.49 176.23 12.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.26 71.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.7 97.86 0.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.79 134.25 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -158.78 113.21 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 m -119.87 124.31 45.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.86 105.68 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -106.11 134.31 49.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -134.49 174.3 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -148.83 166.35 28.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.44 122.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.47 84.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.17 0.16 16.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mp -94.85 111.5 23.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.9 p -161.79 175.18 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.33 37.28 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.8 157.84 70.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.76 118.1 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.218 . . . . 0.0 112.376 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 m -90.72 11.4 22.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.93 140.29 37.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.42 18.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -133.18 149.9 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' HD23 ' A' ' 50' ' ' LEU . 44.2 t-20 68.04 50.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.84 91.15 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.7 t -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 100' ' ' PHE . 26.4 mt -120.09 128.84 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 45' ' ' ILE . 30.5 tt0 -112.56 127.43 56.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 122' ' ' PRO . 47.3 t -85.37 111.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 85.6 t -91.82 -36.29 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 81.2 m-20 -162.88 176.55 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.4 p -72.04 -11.6 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -130.94 0.49 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' HG22 ' A' ' 90' ' ' THR . 3.9 m -131.34 150.36 52.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 38' ' ' GLU . 76.7 mt -153.08 136.21 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -97.54 135.69 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.1 117.99 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 p -117.66 166.27 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.1 p90 -168.88 147.89 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 34' ' ' ASN . 1.4 mm? -114.12 157.36 42.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.59 56.47 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 131.04 20.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' PRO . 13.1 m -37.74 -33.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.53 -79.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.2 p -57.97 -25.47 61.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.8 tt0 -36.36 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -56.37 -43.83 79.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.63 -170.9 25.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.62 96.66 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.699 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -42.35 112.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -84.17 -46.99 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.29 179.89 26.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 39.4 m-85 -127.65 146.25 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -107.23 123.88 48.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 ' CH2' ' A' ' 49' ' ' TRP . 56.4 mt -116.21 107.32 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -106.75 120.32 41.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -121.12 125.35 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -115.03 169.27 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 13.9 tptm -119.97 131.69 55.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.472 HG21 ' OE1' ' A' ' 97' ' ' GLN . 68.9 p -63.61 -51.92 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -66.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 129.88 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -82.01 90.7 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.62 155.19 26.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -131.92 149.71 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.1 tpt -149.1 118.01 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.5 pp20? -93.43 153.25 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.459 HG21 ' CE2' ' A' ' 87' ' ' TYR . 17.1 m -157.78 133.88 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.3 pp -127.04 137.5 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -133.1 101.56 13.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.682 0.753 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.6 31.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -54.72 -60.67 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -140.6 -179.86 6.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.79 24.2 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -136.96 143.77 43.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.5 t80 -141.19 114.03 8.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tp -92.83 132.71 36.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 26.6 m-85 -114.79 118.05 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.44 HG22 ' OG ' ' A' ' 44' ' ' SER . 10.4 p -117.68 152.18 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 43.03 3.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -105.88 169.58 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.85 143.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -79.47 141.16 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.24 41.01 80.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 168.6 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.472 ' OE1' HG21 ' A' ' 71' ' ' THR . 22.6 tt0 -103.92 154.26 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 90.4 m-85 -154.35 132.84 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -111.17 148.29 33.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.747 ' HB2' HD21 ' A' ' 37' ' ' LEU . 87.8 m-85 -134.75 158.02 45.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 114' ' ' SER . 1.5 tp-100 -146.87 141.99 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.615 HG11 ' CB ' ' A' ' 49' ' ' TRP . 15.7 t -129.33 128.69 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -133.21 133.02 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.77 117.82 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.645 ' CG ' HG23 ' A' ' 110' ' ' THR . 11.2 mtm -100.65 149.87 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.6 p -126.05 -177.88 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.21 -5.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -104.0 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.38 -149.05 4.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.645 HG23 ' CG ' ' A' ' 105' ' ' MET . 2.8 m -125.29 147.09 49.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -82.33 179.09 53.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.44 57.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.7 7.43 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.486 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 1.0 OUTLIER -63.77 178.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 17.5 m-20 -56.64 131.1 47.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -65.67 118.62 9.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 80.6 m-85 -102.16 136.3 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' CG ' ' A' ' 97' ' ' GLN . 21.2 m -121.16 140.26 52.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.29 131.84 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.92 148.88 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.1 p -96.47 145.85 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.746 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.79 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -44.11 -36.69 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -159.16 141.0 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -167.09 160.65 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.78 176.54 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 14.8 t -127.99 89.41 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.4 t -35.74 -62.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . 58.46 160.94 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 8.0 m120 -172.75 110.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -89.03 -175.67 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -132.34 -179.41 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.15 79.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -169.77 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.291 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.57 141.82 13.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -99.26 162.43 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -174.61 133.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.9 p -85.28 -66.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -168.82 178.23 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.62 118.83 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 19' ' ' ILE . 2.2 pp -96.78 139.8 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -132.1 141.73 49.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.01 96.83 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -107.07 78.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 23' ' ' THR . 24.2 m -114.26 14.62 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -134.75 172.92 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 61.01 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 108' ' ' ASN . 47.5 m-20 -100.23 29.78 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.17 160.45 57.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' HD2' ' A' ' 112' ' ' PRO . 53.4 Cg_endo -69.76 175.76 7.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -133.42 21.87 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.84 140.5 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.47 18.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.36 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.22 157.42 34.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.551 ' HB2' HD12 ' A' ' 50' ' ' LEU . 11.4 t30 61.09 48.28 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.48 89.77 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -142.44 155.79 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.597 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 83.1 mt -101.61 138.95 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -128.1 106.36 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG11 ' HD3' ' A' ' 122' ' ' PRO . 61.8 t -80.15 125.82 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD1' ' A' ' 41' ' ' ASN . 36.0 t -107.89 -40.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.649 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -141.49 163.56 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -63.67 -16.73 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -129.22 16.86 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -144.59 138.07 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.4 mt -145.22 140.07 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -106.59 139.44 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.39 117.24 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -114.37 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 1.071 ' CH2' HD11 ' A' ' 66' ' ' ILE . 48.2 p90 -170.97 178.92 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 34' ' ' ASN . 36.5 mt -150.03 157.31 37.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.65 68.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.507 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 53.6 Cg_endo -69.75 169.37 19.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.77 124.8 11.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' PRO . 47.8 m -35.37 140.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.36 -40.28 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.8 p -89.76 -23.8 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 52' ' ' PRO . 5.5 pt20 -94.33 56.6 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -59.26 -12.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . . . -109.82 122.53 6.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLY . 11.9 t80 -36.3 136.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -79.31 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -110.01 -41.43 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -177.8 -154.49 12.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 15.8 m-85 -143.82 136.79 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.908 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -93.64 118.92 32.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.071 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.9 mt -108.14 109.84 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -105.1 114.6 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 5.4 p80 -115.25 147.75 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -169.12 163.26 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' CE ' ' CE1' ' A' ' 98' ' ' TYR . 24.4 ttmt -98.42 140.49 32.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 72' ' ' THR . 3.5 t -52.0 -45.6 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 71' ' ' THR . 19.4 p -87.65 -71.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 79.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 156.64 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.41 56.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.49 128.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.9 mmt -130.15 119.41 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.67 134.06 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.9 m -159.43 109.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.6 pp -115.78 141.49 48.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -126.13 113.28 23.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.1 Cg_endo -69.76 -38.97 7.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' PRO . 67.3 m-80 -36.41 -66.4 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -135.27 -177.26 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.55 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.9 mt -97.23 17.65 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -127.26 143.81 51.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -138.89 116.72 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -93.54 107.36 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.962 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -84.8 148.51 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -145.82 135.13 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.99 32.12 1.93 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.2 mt -96.48 -179.62 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -99.7 173.57 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -99.83 163.33 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 35.5 58.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -139.81 173.53 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -115.63 134.25 55.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 118' ' ' THR . 7.5 m-85 -130.44 164.92 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 24.7 m -138.7 157.98 45.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 68' ' ' HIS . 34.3 m-85 -152.53 176.6 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.433 ' OE1' ' CD1' ' A' ' 116' ' ' TRP . 5.1 tt0 -165.22 141.09 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.612 HG11 ' CB ' ' A' ' 49' ' ' TRP . 16.1 t -119.33 132.8 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -134.45 131.86 38.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.78 119.02 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.3 mtm -94.76 132.72 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 59' ' ' GLY . 7.7 p -107.43 -175.93 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.466 ' O ' HG22 ' A' ' 107' ' ' VAL . 8.5 p -61.84 -10.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 5.7 t-20 -99.57 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.53 -156.57 8.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 m -87.43 127.66 35.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -69.76 -160.59 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD2' ' HG2' ' A' ' 28' ' ' PRO . 53.9 Cg_endo -69.78 133.56 25.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.5 p -65.97 179.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -62.24 135.96 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.433 ' CD1' ' OE1' ' A' ' 101' ' ' GLN . 48.9 m95 -73.36 95.35 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -75.98 145.42 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 98' ' ' TYR . 86.7 m -119.79 135.43 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -125.31 131.79 52.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -104.39 120.33 40.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.8 p -70.16 143.9 91.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.524 0.678 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.758 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.75 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -49.23 -29.82 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -170.39 110.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -120.58 165.21 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.19 -160.65 8.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -174.9 176.06 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -172.49 177.57 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 -178.43 41.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -169.92 -179.13 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.67 133.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -143.6 166.81 23.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.01 84.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.12 2.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.76 144.63 16.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.56 138.51 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 p -150.27 165.01 34.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -97.76 -48.71 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 47.14 39.45 8.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.6 116.01 31.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -126.1 148.67 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -135.07 124.62 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 m -59.18 165.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.5 t -111.26 90.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t -137.33 147.19 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.4 135.16 45.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -114.56 -175.03 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -47.8 -42.6 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 152.52 0.81 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.8 157.13 61.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 8.79 11.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.98 132.43 24.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 168.63 20.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.24 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.7 172.47 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.877 ' HB2' HD12 ' A' ' 50' ' ' LEU . 42.9 t30 50.44 37.2 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.9 t -83.88 90.74 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -135.98 168.03 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.752 ' CD2' HG22 ' A' ' 47' ' ' VAL . 19.6 mt -123.82 147.18 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.87 106.76 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG11 ' HD3' ' A' ' 122' ' ' PRO . 41.2 t -67.35 109.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.76 -45.91 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -147.87 -178.93 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -78.61 -13.56 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -129.05 4.48 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -139.24 133.15 30.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.433 HG13 HD12 ' A' ' 92' ' ' LEU . 8.8 mt -137.6 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -97.74 136.41 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.752 HG22 ' CD2' ' A' ' 37' ' ' LEU . 53.8 t -130.6 118.64 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -120.31 163.65 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 48.6 p90 -157.29 -178.87 7.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD12 ' HB2' ' A' ' 34' ' ' ASN . 35.0 mt -149.52 157.57 38.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 160.67 48.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -53.66 165.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . . . 77.01 -80.9 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' GLY . 10.2 p -35.82 -36.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.4 114.78 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -95.87 -50.11 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.08 171.69 15.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -80.75 107.93 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 77.7 mt -57.03 128.37 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -106.96 -43.48 4.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -151.0 -148.88 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CE1' HD22 ' A' ' 85' ' ' LEU . 53.6 m-85 -153.74 165.67 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -125.39 130.28 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.8 112.54 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -101.61 112.33 24.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -123.89 136.61 54.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -146.24 147.79 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.852 ' O ' HG22 ' A' ' 72' ' ' THR . 18.3 tptp -90.09 132.87 35.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 71' ' ' THR . 4.0 t -42.92 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.852 HG22 ' O ' ' A' ' 70' ' ' LYS . 8.8 t -160.85 159.6 30.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . 5.1 tpm_? -46.39 -63.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 74' ' ' ARG . 13.6 mtp-105 -136.3 130.46 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.16 49.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -80.7 171.95 14.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.2 tpt -172.15 134.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' CD ' ' C ' ' A' ' 78' ' ' GLU . 1.2 pp20? -112.5 152.34 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -157.7 118.3 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -107.99 137.43 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.2 tt0 -132.72 101.6 14.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.4 Cg_endo -69.78 -21.41 33.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -44.84 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -128.48 171.55 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 23.9 mt -84.01 16.51 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -141.76 154.68 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.473 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.2 t80 -134.12 120.09 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.3 tm? -97.41 108.09 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.6 m-85 -90.5 145.56 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p -137.62 138.77 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.94 50.37 2.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 45' ' ' ILE . 26.0 mt -106.1 161.24 14.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.756 0.312 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.0 142.44 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -77.72 156.71 30.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.91 59.62 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 m -142.07 161.69 37.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -90.43 142.22 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.588 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.6 m-85 -148.09 121.88 9.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -105.38 135.75 46.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -125.24 147.13 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.639 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 17.3 tt0 -139.32 141.32 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 49' ' ' TRP . 46.6 t -123.71 145.18 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -144.29 138.03 27.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.26 132.72 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 30.3 mtm -109.82 131.29 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.6 p -116.05 158.44 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -39.45 -30.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -70.03 -74.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.61 -130.15 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 105' ' ' MET . 57.9 m -122.23 119.47 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.95 165.2 34.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 54.2 Cg_endo -69.72 -175.18 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.6 p -120.27 172.97 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 8.1 m-20 -41.56 135.84 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.639 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 62.8 m95 -67.03 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 115' ' ' ASN . 94.8 m-85 -79.32 141.37 37.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -126.44 146.01 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.37 131.75 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -95.17 137.05 34.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.2 p -85.34 147.49 47.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.68 113.36 3.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.425 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -41.92 -35.02 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -125.95 141.64 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -167.12 164.67 15.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 118.4 14.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -43.31 -62.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -171.34 132.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.81 135.29 8.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.51 150.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -175.04 140.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -110.56 139.57 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.9 93.94 1.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 166.36 27.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 172.52 31.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.76 135.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -152.95 157.84 41.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -82.2 155.32 24.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -113.56 177.7 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -140.19 178.45 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 pt -93.6 165.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 p -116.32 173.27 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.9 144.81 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.3 49.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -109.16 169.17 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -134.8 124.42 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -130.28 163.02 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.49 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 1.8 m-20 -71.66 -43.08 66.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ASP . 22.6 m -36.82 152.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.79 165.66 30.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -120.19 -34.35 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -88.92 136.79 30.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 53.8 Cg_endo -69.78 168.96 20.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.471 ' NE2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mp0 -118.56 172.47 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.788 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.1 m-80 49.81 41.79 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.0 83.19 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -127.31 149.9 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.61 HD23 HG13 ' A' ' 47' ' ' VAL . 12.5 mt -109.55 132.14 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -105.82 148.44 27.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.1 t -106.99 100.07 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.39 -47.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -146.83 -176.35 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p -82.82 -20.06 36.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -109.7 -19.04 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -117.51 155.9 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.8 mt -150.45 135.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -99.05 134.49 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 HD23 ' A' ' 37' ' ' LEU . 58.6 t -131.75 117.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.7 p -120.95 172.9 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 85' ' ' LEU . 48.9 p90 -173.4 170.05 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.788 HD12 ' CG ' ' A' ' 34' ' ' ASN . 86.1 mt -131.38 153.79 81.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.7 52.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HB2' HG23 ' A' ' 56' ' ' THR . 53.7 Cg_endo -69.79 160.05 51.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD3' ' NE2' ' A' ' 33' ' ' GLN . 53.7 Cg_endo -69.79 143.52 50.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.2 t -34.32 -43.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.44 -49.44 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 30' ' ' ALA . 8.8 t -114.56 51.35 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -120.2 41.88 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 26' ' ' ASP . 16.6 p-10 -59.82 -40.74 89.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.2 143.1 16.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.76 116.34 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 mt -59.71 133.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.0 p -120.22 -41.21 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.92 -172.07 22.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 14.7 m-85 -139.09 147.62 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.905 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -109.05 114.26 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD11 ' CH2' ' A' ' 49' ' ' TRP . 15.5 mt -101.61 129.32 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -118.8 113.15 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.96 119.3 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.497 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 6.8 ttt180 -121.24 149.3 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HE2' ' CE1' ' A' ' 98' ' ' TYR . 26.1 tptp -107.97 150.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 t -85.21 16.62 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 72' ' ' THR . 3.1 t -96.37 39.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' THR . 16.4 mmm180 36.29 53.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.499 ' HG2' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -115.51 -21.48 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.79 -156.14 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 69' ' ' ARG . 8.9 tt0 -137.97 131.11 30.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 mtp -106.83 144.82 32.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.29 141.85 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.7 m -158.34 138.7 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.14 150.8 47.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.4 tt0 -134.28 101.77 12.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 54.0 Cg_endo -69.76 -30.07 22.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' PRO . 32.0 m120 -38.15 -65.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -148.82 -179.7 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 30.9 mt -83.48 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -152.83 142.83 22.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 2.7 t80 -133.63 117.89 17.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.66 118.23 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 87' ' ' TYR . 94.5 m-85 -102.72 149.39 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.3 p -142.39 152.68 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.01 64.78 2.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.0 mt -124.12 155.78 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.33 133.2 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -78.95 145.0 34.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.35 50.74 63.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -139.71 160.12 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -99.35 133.81 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 70' ' ' LYS . 26.8 m-85 -127.27 151.72 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -118.56 138.95 52.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.01 163.66 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -159.62 140.17 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 49' ' ' TRP . 68.8 t -115.05 143.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.5 m -140.58 133.52 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.46 113.44 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.501 ' HG2' HG23 ' A' ' 110' ' ' THR . 69.4 mtm -91.8 134.96 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.8 p -123.75 163.77 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.8 p -43.44 -37.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -69.76 -47.5 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.49 -179.52 40.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.501 HG23 ' HG2' ' A' ' 105' ' ' MET . 6.0 m -64.61 133.4 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.423 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -76.94 -170.03 32.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.58 40.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.218 . . . . 0.0 112.409 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 7.2 t -58.95 165.21 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -47.79 159.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -94.7 95.14 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -81.56 146.14 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -120.9 138.76 53.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.19 134.19 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -108.2 125.67 51.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -82.01 144.7 51.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.524 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.73 111.12 2.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -39.32 -41.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 124' ' ' ASN . 13.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -156.26 -175.83 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -146.82 174.9 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.17 -156.76 7.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -153.89 179.52 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -162.6 -179.99 7.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . -124.85 -160.74 10.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 32.9 m120 -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -150.46 -175.86 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -170.42 178.08 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.15 89.25 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -177.8 2.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.24 163.23 28.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.5 t -152.95 118.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -153.75 132.28 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 178.55 7.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -148.51 170.47 17.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.92 150.44 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.3 pt -135.19 141.05 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -140.36 163.07 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -164.38 146.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 22' ' ' VAL . 39.1 t -120.56 54.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -53.0 153.5 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.5 155.16 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p -166.86 -178.19 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.0 33.3 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -84.71 152.64 60.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 111.095 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.78 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 m -123.24 -14.25 7.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -116.68 143.18 30.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.53 18.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -131.16 161.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' HB2' HD12 ' A' ' 50' ' ' LEU . 66.6 t30 57.28 45.86 19.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -91.42 94.97 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 m -144.67 166.19 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 119' ' ' ALA . 31.9 mt -118.18 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.23 130.4 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.642 HG11 ' HD3' ' A' ' 122' ' ' PRO . 99.6 t -96.25 103.58 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -86.02 -47.26 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -143.8 -178.64 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -76.93 -22.11 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -120.69 -2.0 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 m -125.53 129.09 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mt -130.43 141.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HD23 ' A' ' 88' ' ' LEU . 12.4 tptm -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.1 118.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 166.57 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 66' ' ' ILE . 47.1 p90 -170.08 174.85 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 34' ' ' ASN . 14.4 mt -138.5 158.95 69.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 53.3 Cg_endo -69.85 154.64 67.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.77 168.28 22.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.68 131.33 21.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' PRO . 23.1 m -36.25 -36.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.49 -77.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 30' ' ' ALA . 13.1 t -71.87 -41.27 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.164 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 56' ' ' THR . 30.1 tt0 -39.29 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -116.87 72.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.26 125.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 100.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 50.0 mt -54.94 123.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.2 p -91.79 -45.43 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.59 -164.93 14.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.774 ' O ' HD23 ' A' ' 80' ' ' LEU . 60.4 m-85 -138.5 145.12 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HD3' ' CE ' ' A' ' 105' ' ' MET . 0.7 OUTLIER -96.73 140.69 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 ' CH2' ' A' ' 49' ' ' TRP . 14.5 mt -137.47 106.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -105.17 144.22 32.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -126.14 159.56 32.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -166.66 155.12 10.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 3.7 tppt? -107.28 140.34 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 72' ' ' THR . 8.9 t -49.27 -49.93 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.573 ' N ' HG23 ' A' ' 71' ' ' THR . 0.9 OUTLIER -96.25 58.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -166.03 153.25 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -113.76 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.33 164.94 11.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -150.28 117.47 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 73.5 mtp -107.7 173.61 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.67 163.7 32.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.2 m -159.86 109.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.875 HD21 ' CE ' ' A' ' 105' ' ' MET . 10.1 mt -85.45 136.91 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -134.99 101.11 11.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.681 0.753 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.6 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PRO . 10.1 m120 -34.42 -71.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.519 ' HB2' ' CD1' ' A' ' 86' ' ' TRP . 54.6 m-80 -153.12 -177.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -84.62 31.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 84' ' ' ASN . 62.0 p-90 -141.9 144.51 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -138.67 123.53 18.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' HD3' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -106.53 105.45 15.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -87.91 150.33 23.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.3 p -143.04 137.2 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 57.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.07 170.04 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.4 155.21 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.5 pttt -87.47 172.02 10.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 36.27 33.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 11.1 p -113.06 166.54 11.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -109.99 145.9 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.72 ' O ' HG23 ' A' ' 118' ' ' THR . 43.5 m-85 -149.47 158.73 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -136.79 137.42 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -131.83 162.33 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.497 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 3.6 pt20 -149.37 165.61 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.0 t -136.95 133.55 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -128.6 117.87 21.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 105.19 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.875 ' CE ' HD21 ' A' ' 80' ' ' LEU . 21.4 mtm -87.48 138.56 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.5 p -124.34 -177.51 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 107' ' ' VAL . 8.9 p -54.99 -13.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.46 -70.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.77 -145.0 4.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 105' ' ' MET . 0.7 OUTLIER -94.3 144.89 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.79 -167.72 43.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.41 13.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 t -50.02 168.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -49.24 148.51 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 40.0 m95 -75.83 98.83 4.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -81.5 153.28 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 98' ' ' TYR . 82.1 m -138.94 131.34 28.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -118.38 128.11 54.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.34 124.13 38.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 48.0 p -71.91 136.31 82.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.642 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.71 -35.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -174.42 125.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -174.89 166.6 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.84 129.42 1.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -174.91 117.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.374 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -174.76 178.2 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.58 -154.61 10.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.58 155.38 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -175.74 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -123.16 148.44 45.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.32 153.69 17.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -176.86 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.328 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.43 115.87 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.26 165.01 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.2 p -171.44 166.29 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -151.91 176.15 11.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -171.25 172.26 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.61 169.81 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 pt -127.72 148.35 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' VAL . 70.2 p -58.06 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.712 ' CG1' HG23 ' A' ' 23' ' ' THR . 83.3 t -35.52 142.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 22' ' ' VAL . 11.7 p -128.99 35.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.712 HG23 ' CG1' ' A' ' 21' ' ' VAL . 33.8 p -39.21 99.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 mt -154.1 177.43 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m 65.82 50.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.82 35.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.77 157.33 34.11 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 123.1 9.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -92.9 -38.77 11.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -76.84 141.56 68.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.693 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 164.5 34.23 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.51 68.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.541 ' HB2' HD12 ' A' ' 50' ' ' LEU . 16.4 t30 65.11 40.17 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.47 104.93 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -155.38 162.64 40.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 ' HB2' ' A' ' 100' ' ' PHE . 13.7 mt -114.53 129.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.04 124.05 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 62.0 t -85.63 116.06 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t -94.6 -45.55 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -150.17 -179.17 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 p -73.39 -22.86 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -124.2 18.97 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -147.62 133.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 121' ' ' THR . 91.3 mt -140.47 128.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -96.34 141.8 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.7 118.89 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.9 p -116.99 155.95 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.9 p90 -156.05 170.36 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 34' ' ' ASN . 26.5 mt -139.68 155.48 71.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.3 53.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.7 69.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -53.73 -23.8 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -51.91 -62.53 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 30' ' ' ALA . 14.3 t -85.05 -20.11 30.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 111.206 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -49.88 91.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -122.13 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.71 138.84 3.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -70.84 104.64 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.7 mp -48.71 144.21 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 p -122.69 -22.2 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.94 -162.62 23.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.1 m-85 -149.39 143.95 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.961 0.41 . . . . 0.0 110.914 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -99.9 125.43 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.574 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.0 mt -121.73 107.04 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -100.55 131.88 46.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -134.71 154.92 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -170.65 179.11 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.56 152.75 24.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -58.67 -13.5 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -102.4 160.11 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -55.47 109.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -150.16 140.85 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.9 107.86 0.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -44.84 136.01 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 tpt -121.45 109.05 14.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.96 143.87 26.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -152.52 139.15 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -135.57 139.08 43.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 2.7 tt0 -132.57 101.53 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.7 Cg_endo -69.74 -26.64 27.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.388 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 22.0 m-80 -37.45 -66.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 47.5 m-80 -136.14 -175.74 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.678 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.6 mt -97.17 21.04 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 68.1 p-90 -134.38 146.8 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.772 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 2.7 t80 -133.67 128.11 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.2 tm? -106.6 107.41 18.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.772 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.3 m-85 -98.34 144.36 27.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 88' ' ' LEU . 13.9 p -144.38 150.96 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.04 58.72 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.59 159.47 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.61 123.94 28.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -56.95 143.54 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 62.7 70.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -156.41 171.67 19.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -113.02 139.58 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -136.84 150.38 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -108.47 159.18 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.564 ' HB2' HD21 ' A' ' 37' ' ' LEU . 85.6 m-85 -150.55 170.45 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 102' ' ' VAL . 23.0 tt0 -169.97 150.07 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 49' ' ' TRP . 48.2 t -133.37 145.93 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -154.03 120.85 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 124.86 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.652 ' HG2' HG23 ' A' ' 110' ' ' THR . 36.7 mtm -103.7 130.34 51.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -111.86 172.58 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.28 -31.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -73.66 -53.38 10.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.18 -168.79 38.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.652 HG23 ' HG2' ' A' ' 105' ' ' MET . 3.5 m -98.9 160.96 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 110' ' ' THR . . . -105.32 -177.4 24.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.55 65.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 135.69 30.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.9 p -77.86 166.28 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -46.93 131.26 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -67.84 100.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -81.71 132.3 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.62 147.03 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -136.85 127.4 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -100.67 113.95 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -64.95 144.29 99.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.172 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.3 Cg_endo -69.72 140.64 43.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.57 -23.06 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -158.95 166.88 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -172.83 134.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.5 -167.26 13.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -173.58 147.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -173.92 137.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.24 123.57 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -173.72 118.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -129.85 140.81 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -173.93 137.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.99 84.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -167.74 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.66 98.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.88 128.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.7 p -172.86 141.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -101.0 172.11 7.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -126.03 137.04 53.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -130.4 94.46 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 pt -139.2 148.71 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.11 151.49 28.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.0 t -130.93 103.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.35 42.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 24' ' ' LEU . 44.4 m -136.15 161.74 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.553 ' N ' HG22 ' A' ' 23' ' ' THR . 13.5 mt -93.88 110.68 22.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 m -120.1 178.34 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 -29.54 8.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -37.89 155.29 0.11 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.625 0.726 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.54 38.07 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -114.43 43.53 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.93 134.21 8.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.575 0.703 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.8 Cg_endo -69.76 176.03 7.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -114.05 167.2 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.5 m-20 45.98 51.34 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' A' ' 32' ' ' PRO . 98.1 t -91.19 87.53 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -128.11 163.9 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.44 122.74 41.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -104.94 134.52 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 ' HD3' ' A' ' 122' ' ' PRO . 69.7 t -95.71 101.64 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -82.44 -48.0 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -143.94 -175.89 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.8 p -83.21 -18.57 38.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -118.37 -13.8 9.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 1.6 m -113.6 159.61 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 44' ' ' SER . 11.4 mt -157.67 143.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -110.22 126.17 53.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.02 117.89 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.3 p -122.08 177.83 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CG ' HG11 ' A' ' 102' ' ' VAL . 43.2 p90 -174.27 171.62 3.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 34' ' ' ASN . 65.1 mt -134.42 154.09 79.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 156.72 62.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 53.3 Cg_endo -69.81 170.0 17.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 150.3 68.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.4 p -57.35 -15.66 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.2 -34.71 45.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -97.22 -19.78 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 111.099 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 59.9 mt-30 -68.74 125.31 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -30.13 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.35 179.39 16.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -83.41 123.83 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 HG22 ' A' ' 106' ' ' THR . 50.9 mm -63.11 118.72 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -101.9 -45.57 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -160.26 -171.51 26.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.673 ' O ' HD23 ' A' ' 80' ' ' LEU . 6.7 m-85 -138.31 128.13 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.53 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD11 ' CH2' ' A' ' 49' ' ' TRP . 8.1 mt -118.79 107.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -99.61 127.54 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.552 ' CE1' ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -121.28 155.91 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -154.8 148.8 25.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -113.8 135.0 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 97' ' ' GLN . 35.9 p -44.11 -68.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.41 ' N ' ' OG1' ' A' ' 71' ' ' THR . 95.5 m -49.59 -56.15 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ARG . 3.1 ptm180 -120.32 104.23 9.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' GLY . 25.5 ptt180 -34.47 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' ARG . . . 33.47 40.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.1 120.39 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.552 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 1.9 ptt? -150.89 169.99 20.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -127.68 152.62 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.401 HG21 ' CE2' ' A' ' 87' ' ' TYR . 48.1 m -151.31 114.19 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 64' ' ' TYR . 11.7 mt -90.44 140.03 30.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.28 101.37 12.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.9 Cg_endo -69.72 -39.1 6.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' PRO . 11.6 m120 -34.34 -70.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.84 176.65 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.4 mt -88.44 31.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.453 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 67.6 p-90 -148.66 150.65 33.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CE2' HG21 ' A' ' 79' ' ' THR . 5.5 t80 -136.07 110.91 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.81 124.2 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.46 152.63 21.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -148.42 158.19 43.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.85 50.99 3.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -114.15 152.48 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -77.17 125.84 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -64.55 133.52 52.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.44 47.86 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -141.33 155.37 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.498 ' HB3' HG21 ' A' ' 71' ' ' THR . 7.0 tt0 -92.78 139.99 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -139.07 152.5 47.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 146.03 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -145.88 153.13 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.85 166.88 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.552 HG11 ' CG ' ' A' ' 49' ' ' TRP . 92.2 t -141.37 134.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -130.13 136.53 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.39 129.9 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.611 ' CE ' HD11 ' A' ' 80' ' ' LEU . 22.8 mtm -117.85 137.35 52.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.543 HG22 HD13 ' A' ' 61' ' ' ILE . 58.2 p -120.07 174.73 6.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -54.39 -23.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -78.66 -64.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.08 -138.08 2.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.8 m -124.79 134.4 52.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.83 -166.55 39.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.54 53.07 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 p -76.69 168.39 20.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -57.92 160.39 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -83.1 90.17 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -79.93 127.26 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.0 m -103.69 142.35 34.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.83 141.6 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -111.49 125.32 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 p -83.77 141.73 41.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.532 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.73 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.96 -37.63 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -158.57 175.73 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -141.78 174.38 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.15 -171.84 20.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -174.35 162.06 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -164.78 179.14 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.25 -179.05 17.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -157.9 169.78 23.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.2 ptp180 -147.54 172.36 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 45.5 m-85 -164.3 171.19 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.33 142.16 7.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 178.37 4.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.238 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.82 89.87 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -56.51 156.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -164.44 153.47 13.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 16' ' ' THR . 14.6 t -165.35 123.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -115.16 91.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.94 94.17 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.7 pt -62.44 113.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.0 p -131.32 109.95 10.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.56 119.53 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.5 p -103.68 92.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 t -139.05 156.82 46.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -98.49 145.61 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.8 m -118.12 178.68 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 108' ' ' ASN . 58.8 m-20 -118.66 46.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m -111.63 155.64 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.77 166.24 28.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.638 2.225 . . . . 0.0 112.367 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -127.47 32.66 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 124.51 2.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.6 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.63 49.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -109.5 178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.813 ' HB2' HD12 ' A' ' 50' ' ' LEU . 61.9 t30 50.42 44.61 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.2 89.58 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.0 m -129.43 169.96 14.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 119' ' ' ALA . 51.0 mt -118.79 136.34 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -125.49 106.63 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.518 HG11 ' HD3' ' A' ' 122' ' ' PRO . 86.3 t -73.79 97.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.8 -52.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.0 178.53 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -64.1 -23.16 67.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -129.44 30.98 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -155.22 127.41 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' CD1' ' A' ' 92' ' ' LEU . 71.3 mt -137.16 122.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.3 ttmt -98.62 126.79 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 61.6 t -116.38 121.35 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -113.68 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.616 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 34.1 p90 -170.71 174.59 4.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.813 HD12 ' HB2' ' A' ' 34' ' ' ASN . 17.1 mt -140.29 157.31 68.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.98 68.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.73 20.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 160.58 49.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -64.72 156.69 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.75 -38.82 3.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -85.17 -57.92 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.63 93.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -66.42 -58.66 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.61 139.26 14.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 107' ' ' VAL . 38.9 p90 -54.95 114.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 61' ' ' ILE . 5.1 mp -57.36 123.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.9 p -89.37 -42.83 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.1 179.61 23.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 20.1 m-85 -126.55 147.05 49.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.952 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' HG13 ' A' ' 66' ' ' ILE . 23.3 tttt -102.15 152.47 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 65' ' ' LYS . 15.2 mt -139.99 135.4 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -121.83 122.2 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' C ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 p-80 -113.33 144.81 42.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 13.6 mtp180 -157.22 158.6 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 9.7 tttm -116.91 145.66 43.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 t -48.89 -28.02 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 72' ' ' THR . 10.1 t -128.29 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -168.62 148.6 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -122.64 62.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 64.04 0.27 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HG2' ' NE ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -64.45 115.23 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 tpt -123.54 152.41 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.19 162.94 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 m -158.69 141.86 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.6 pp -119.07 156.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -134.21 101.84 12.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.77 -12.62 33.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.228 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -59.53 -75.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -142.43 -175.03 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 64' ' ' TYR . 2.8 mt -87.65 38.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 86' ' ' TRP . 43.0 p-90 -151.89 134.54 15.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 1.8 t80 -123.5 115.0 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.463 HD23 ' HB2' ' A' ' 46' ' ' LYS . 2.8 tm? -95.96 104.37 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 58.1 m-85 -91.08 147.2 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.3 p -142.39 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 44.67 24.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 45' ' ' ILE . 60.8 mt -95.48 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -85.17 116.53 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -56.79 164.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.67 51.94 36.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -156.28 153.04 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 20.5 tt0 -95.09 155.97 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.527 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 61.8 m-85 -151.55 146.79 26.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.4 m -112.17 162.65 15.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -154.36 134.42 13.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.564 ' NE2' ' NE1' ' A' ' 116' ' ' TRP . 34.6 tt0 -137.12 119.79 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.54 HG11 ' CG ' ' A' ' 49' ' ' TRP . 98.6 t -97.79 145.58 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 m -138.92 163.79 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.05 111.65 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 80' ' ' LEU . 47.1 mtm -92.98 128.95 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -100.9 179.05 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 33.2 m -65.74 -11.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.44 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.7 m-80 -96.52 -72.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -157.51 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -98.18 125.83 43.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.404 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -68.78 178.92 23.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.71 43.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.6 Cg_endo -69.84 150.82 68.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 73.8 p -97.97 177.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -44.02 147.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' NE1' ' NE2' ' A' ' 101' ' ' GLN . 44.8 m95 -90.08 99.63 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -85.52 140.98 30.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 m -117.1 148.63 41.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.778 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -132.52 157.77 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -126.85 133.68 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.4 p -85.43 135.16 39.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.518 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 115.14 3.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -40.97 -41.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.7 169.47 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -101.76 117.38 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.42 128.37 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -146.42 166.56 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -132.54 -50.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.57 177.67 44.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -164.46 152.36 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ttm105 -170.08 142.91 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -152.26 178.84 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.45 82.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 172.45 12.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.27 152.71 23.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.97 -59.21 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -128.22 141.17 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 17' ' ' ASP . 9.8 t -112.54 -42.34 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 16' ' ' THR . 3.8 m-20 -174.29 117.66 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -141.02 117.57 10.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.3 pt -138.89 159.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -133.52 175.18 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.25 133.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 57.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -101.8 145.53 29.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.38 151.36 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -167.25 167.77 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -103.63 23.07 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.17 147.57 95.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.49 60.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 m -113.32 -27.1 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.34 125.86 75.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.31 42.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.2 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -114.7 168.07 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.5 t30 60.8 46.72 8.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.3 t -94.31 98.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -153.81 158.85 41.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 119' ' ' ALA . 62.5 mt -103.88 155.59 18.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -138.53 109.72 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' HD3' ' A' ' 122' ' ' PRO . 59.9 t -69.52 95.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 17.3 t -75.47 -52.15 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -149.5 177.07 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 p -62.19 -39.57 93.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.36 35.0 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -155.21 143.46 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.0 mt -146.63 141.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -112.05 130.61 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 100' ' ' PHE . 90.2 t -125.81 128.15 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -127.69 165.92 19.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 37.2 p90 -159.69 173.93 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -143.73 155.98 59.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 155.62 65.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.57 67.21 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.6 p -51.12 169.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.87 -48.26 3.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -76.7 -40.54 48.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -40.27 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -104.38 68.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.29 176.19 14.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.37 119.57 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.76 87.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.1 p -51.76 -57.05 10.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.97 -161.41 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 40.2 m-85 -133.18 127.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' CE ' ' A' ' 105' ' ' MET . 0.6 OUTLIER -79.61 122.86 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.534 HD11 ' CH2' ' A' ' 49' ' ' TRP . 6.3 mt -117.85 107.13 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -112.38 128.53 56.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -128.19 131.39 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 76' ' ' GLU . 8.3 ptt180 -135.24 141.98 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 71' ' ' THR . 1.3 ttpm? -101.81 150.37 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.532 HG23 ' HB3' ' A' ' 97' ' ' GLN . 11.8 p -45.21 -59.72 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 p -98.07 176.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ARG . 5.1 tpt180 66.01 48.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -38.17 112.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.1 43.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.83 160.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.97 131.94 46.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -92.65 130.79 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -142.79 143.94 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.0 pp -135.64 139.98 44.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.3 tp10 -130.53 101.63 17.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.73 -37.81 8.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -37.84 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -117.46 174.48 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.5 mt -100.65 20.97 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -140.5 146.38 38.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.72 117.35 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 46' ' ' LYS . 5.3 tp -93.63 121.02 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -100.3 120.85 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -115.7 166.22 12.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.75 57.94 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.0 144.8 43.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -80.58 110.21 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -42.03 151.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.47 55.8 21.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -145.5 152.23 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.532 ' HB3' HG23 ' A' ' 71' ' ' THR . 5.6 tt0 -102.91 111.53 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.55 152.14 29.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 m -124.77 162.43 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.631 ' CD2' HG21 ' A' ' 47' ' ' VAL . 40.8 m-85 -143.27 169.25 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.407 ' NE2' ' HB3' ' A' ' 113' ' ' PRO . 10.4 tt0 -161.21 147.19 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.439 HG11 ' CB ' ' A' ' 49' ' ' TRP . 40.9 t -137.93 142.42 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.5 t -150.87 128.06 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.42 114.67 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.914 ' HB3' HG23 ' A' ' 110' ' ' THR . 11.8 ptp -112.58 144.98 41.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.8 p -116.17 -175.48 2.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.04 -22.06 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.33 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.25 -162.31 24.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HB3' ' A' ' 105' ' ' MET . 0.2 OUTLIER -104.85 116.89 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.121 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.63 -172.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 144.26 53.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.407 ' HB3' ' NE2' ' A' ' 101' ' ' GLN . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.4 p -80.59 169.69 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -43.02 145.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CE2' ' OE1' ' A' ' 101' ' ' GLN . 40.9 m95 -84.71 102.22 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -88.25 151.73 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 93.6 m -137.49 144.77 42.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 37' ' ' LEU . . . -140.83 138.86 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -104.66 131.55 51.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.5 p -78.17 143.28 64.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.538 0.685 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.577 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.76 121.74 8.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.91 -40.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.2 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -168.06 161.29 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -160.45 169.32 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.75 -170.39 19.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -163.38 150.78 12.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -136.52 178.66 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.06 -169.42 11.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -159.86 167.95 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -154.34 147.72 25.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -138.85 153.46 48.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.47 147.46 18.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 172.85 11.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.18 99.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.3 p -163.82 140.85 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 t -164.95 131.63 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.4 p -113.17 148.57 35.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -160.9 142.1 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -173.25 134.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 pt -109.22 149.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -104.06 140.83 37.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -131.05 138.92 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 22' ' ' VAL . 10.7 p -83.69 55.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -65.86 99.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -147.76 138.48 23.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 27' ' ' VAL . 7.4 p -148.16 149.48 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 19.3 p-10 -60.33 -37.13 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 25' ' ' SER . 3.6 m -50.86 155.19 2.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.82 113.29 3.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m -76.97 -47.07 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' THR . . . -68.54 128.49 93.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.555 0.693 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.81 26.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.17 44.44 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.62 158.77 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.688 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 t-20 68.01 46.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.28 90.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 t -133.19 163.64 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 100' ' ' PHE . 56.5 mt -107.7 147.37 30.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -126.97 131.48 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -100.0 109.23 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.0 t -98.48 -44.55 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -148.93 -176.93 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.5 p -73.96 -39.03 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -112.01 30.54 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -153.43 131.26 11.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 121' ' ' THR . 70.5 mt -143.41 126.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.04 146.85 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.4 t -136.85 119.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -118.23 171.57 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.974 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.2 p90 -169.46 164.77 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 34' ' ' ASN . 84.2 mt -133.66 154.43 80.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.78 20.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.07 69.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' GLY . 30.8 t -50.62 -54.36 23.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.34 -68.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 30' ' ' ALA . 27.5 p -62.68 -47.22 84.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.314 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -38.13 99.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 56' ' ' THR . 4.1 p30 -120.67 35.92 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -177.47 38.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -103.13 105.25 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.65 131.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -117.18 -40.49 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.25 -162.2 12.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -144.92 154.54 42.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -117.04 124.14 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.974 HD11 ' CH2' ' A' ' 49' ' ' TRP . 11.1 mt -112.31 114.64 47.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 12.3 ttm105 -115.12 124.42 51.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -110.55 141.54 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.2 ttp180 -118.82 148.59 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 19.4 tptp -110.33 129.92 55.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.406 ' H ' HG22 ' A' ' 71' ' ' THR . 0.0 OUTLIER -43.49 -30.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' ARG . 82.8 p -70.59 -176.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' THR . 40.1 ttt180 -37.55 156.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -41.96 162.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.44 61.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -84.9 118.74 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -104.85 119.03 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -90.66 127.38 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -143.79 132.11 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -124.65 142.37 51.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 4.0 tp10 -133.83 102.28 12.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.6 Cg_endo -69.79 -29.81 23.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -38.1 -65.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 57.4 m-80 -141.32 179.3 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 3.2 mt -91.64 29.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 62.2 p-90 -141.03 141.4 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.555 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.0 t80 -134.07 118.09 17.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -95.92 109.27 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 72.4 m-85 -92.88 144.58 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.0 p -139.29 159.93 41.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.06 56.11 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.6 mt -113.62 164.28 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.5 150.12 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.35 147.77 25.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.42 42.53 95.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.6 m -131.0 -175.68 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' OE1' HG21 ' A' ' 118' ' ' THR . 12.2 tt0 -122.58 145.17 48.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 70' ' ' LYS . 56.9 m-85 -144.25 131.03 20.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 m -100.13 157.16 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 37' ' ' LEU . 96.4 m-85 -152.1 158.18 42.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -153.69 167.79 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.8 t -138.37 139.23 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.1 p -138.23 133.39 33.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 119.51 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.4 ' HG3' HG23 ' A' ' 110' ' ' THR . 22.5 mtm -97.92 137.66 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.8 p -126.72 177.4 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -55.16 -17.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -88.28 -60.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.17 -126.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 105' ' ' MET . 4.3 m -132.01 144.72 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.5 -173.94 50.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.533 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.96 55.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.58 2.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASN . 98.3 p -49.55 161.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 81.5 m-20 -37.7 146.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -80.55 91.2 5.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 59.3 m-85 -79.72 146.26 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.413 HG21 ' OE1' ' A' ' 97' ' ' GLN . 18.5 m -134.23 149.54 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.46 131.96 20.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.86 126.97 38.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 45' ' ' ILE . 68.0 p -74.7 143.28 78.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 124.04 10.69 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.16 -41.05 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -173.03 172.97 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -126.3 172.59 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 152.77 5.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.55 137.67 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -126.38 -177.55 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.47 171.61 23.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -165.25 173.89 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 4.1 ptm85 -173.53 123.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -162.55 174.98 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.77 91.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.23 4.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.51 110.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -143.6 117.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 t -145.23 153.74 41.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -144.36 171.23 14.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -167.15 119.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.46 117.86 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 pt -140.86 140.7 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 p -144.22 110.57 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.5 m -58.13 174.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -105.74 91.12 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -132.78 147.74 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -109.91 121.88 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 m -97.99 160.47 14.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . 1.7 m-20 -105.68 23.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.24 152.61 95.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.77 157.64 59.68 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 t -112.82 -16.38 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.66 123.59 38.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 169.79 18.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.02 69.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -104.22 174.17 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.711 ' CB ' HD23 ' A' ' 50' ' ' LEU . 29.0 m-20 44.87 50.73 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 92.9 t -99.23 85.74 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 160.59 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 47' ' ' VAL . 8.7 mt -115.28 158.03 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' ILE . 21.7 tt0 -134.13 143.0 47.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG11 ' HD3' ' A' ' 122' ' ' PRO . 64.6 t -93.55 100.02 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG12 ' OD1' ' A' ' 41' ' ' ASN . 99.4 t -78.72 -46.28 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.506 ' OD1' HG12 ' A' ' 40' ' ' VAL . 34.0 m120 -157.62 178.86 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -70.37 -15.91 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -129.56 10.65 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 m -140.66 140.13 34.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 38' ' ' GLU . 44.7 mt -141.34 129.67 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -91.65 135.48 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 37' ' ' LEU . 76.9 t -129.64 147.83 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -149.99 170.68 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.825 ' C ' HD22 ' A' ' 50' ' ' LEU . 44.0 p90 -168.65 162.7 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 49' ' ' TRP . 3.7 mm? -132.56 154.51 81.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.48 21.45 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.42 28.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -46.07 114.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.48 -9.02 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -125.79 5.24 7.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -107.08 43.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -37.79 -52.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.23 134.21 13.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.11 97.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.06 127.59 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -104.54 -43.68 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.54 -163.88 13.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.679 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 1.2 m-85 -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.981 0.42 . . . . 0.0 110.881 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.87 122.73 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.81 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.7 mt -110.15 119.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -120.82 142.26 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -138.46 154.63 48.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -145.91 148.56 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -103.35 140.3 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 p -49.73 -31.52 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -61.15 -176.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ARG . 45.2 mtp180 -40.93 152.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' ARG . 84.6 mtt180 -36.82 152.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.41 43.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.99 155.97 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.4 mmm -149.11 167.83 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -136.29 132.51 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.1 m -151.5 140.25 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' A' ' 105' ' ' MET . 4.4 pp -124.41 152.16 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -136.16 104.67 9.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.03 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -42.9 -70.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -140.24 174.33 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.679 HD22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -85.85 26.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -139.1 143.28 38.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 2.5 t80 -134.39 108.54 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.452 HD13 HG23 ' A' ' 90' ' ' THR . 2.0 tm? -88.71 104.86 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 56.9 m-85 -85.99 145.08 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 88' ' ' LEU . 68.9 p -142.39 157.93 44.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.5 45.9 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.17 175.92 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.16 151.77 21.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -91.04 164.03 14.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.01 38.59 89.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -131.99 172.93 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -122.27 112.19 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -113.37 157.01 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -132.88 164.08 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' HB2' HD21 ' A' ' 37' ' ' LEU . 93.0 m-85 -144.28 166.53 24.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.687 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 15.1 tt0 -156.09 139.58 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 49' ' ' TRP . 77.5 t -122.9 136.67 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.91 140.06 46.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.09 115.7 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.719 ' CG ' HG23 ' A' ' 110' ' ' THR . 34.7 mtm -92.64 140.62 29.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.3 p -123.66 159.21 29.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -44.59 -23.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 26' ' ' ASP . 31.2 m120 -88.45 -72.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.45 -178.58 22.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.719 HG23 ' CG ' ' A' ' 105' ' ' MET . 1.2 m -76.94 156.91 31.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.132 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -94.34 -176.83 38.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.1 52.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.8 Cg_endo -69.75 115.1 3.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -61.15 166.2 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.411 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 6.4 t-20 -42.1 161.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.687 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 63.1 m95 -101.79 92.58 4.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.432 ' O ' HD11 ' A' ' 37' ' ' LEU . 68.8 m-85 -81.34 119.54 23.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 m -97.47 136.53 37.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -123.93 130.69 53.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.91 126.4 44.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.6 p -78.42 146.74 70.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.84 108.17 2.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -39.93 -38.04 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -170.51 177.43 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 p -162.06 178.17 9.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.14 -166.55 13.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.3 p -173.13 172.63 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -173.16 174.13 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.05 169.45 28.1 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -166.71 173.6 9.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.16 154.06 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -128.3 -55.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 126.68 5.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.33 6.93 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.648 2.232 . . . . 0.0 112.31 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.99 124.27 3.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.62 167.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -173.0 127.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -147.49 116.98 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -172.77 121.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.89 172.01 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.6 mt -97.79 133.91 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 p -144.34 154.58 43.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.8 t -136.97 112.08 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 22' ' ' VAL . 12.9 p -96.24 46.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 t -46.6 143.81 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -130.15 46.27 2.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.3 p -150.1 150.66 32.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 64.8 m-20 -109.91 27.38 9.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 m -77.03 151.81 82.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.653 0.739 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.77 174.01 10.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -129.96 -3.29 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 131.42 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 164.84 33.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.76 26.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -119.14 162.22 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.562 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.8 t-20 67.83 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -86.88 91.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -135.34 168.11 19.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.59 147.85 43.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -133.02 131.75 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.41 HG11 ' HD3' ' A' ' 122' ' ' PRO . 87.5 t -87.85 100.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.523 HG12 ' OD1' ' A' ' 41' ' ' ASN . 95.1 t -79.23 -44.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.523 ' OD1' HG12 ' A' ' 40' ' ' VAL . 35.3 m120 -152.93 -177.18 6.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 p -70.71 -25.01 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -125.88 16.96 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -140.46 132.09 27.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.84 133.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.36 141.2 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -141.44 132.14 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -130.21 -178.7 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.851 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.4 p90 -171.6 171.27 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 34' ' ' ASN . 47.7 mt -141.35 156.13 67.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 156.69 62.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 139.64 41.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.6 p -45.08 168.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -55.34 4.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 p -70.3 -41.13 73.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 73.7 mt-30 -37.56 135.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 4.7 t-20 -105.26 -52.55 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.26 155.31 21.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.96 111.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 20.9 mt -55.02 106.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.4 p -84.33 -35.83 22.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -162.29 -169.15 25.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 2.6 m-85 -137.95 136.87 37.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -94.71 116.46 28.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.851 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.7 mt -107.13 116.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -111.3 130.62 55.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 100' ' ' PHE . 26.5 p80 -134.15 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.15 164.66 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.8 145.43 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 97' ' ' GLN . 2.8 p -59.79 163.11 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.7 m 40.35 29.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -145.74 111.16 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -76.63 129.71 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.04 148.8 7.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -131.45 136.68 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.6 mmm -99.62 118.01 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.88 126.24 35.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 m -142.77 138.82 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' HE3' ' A' ' 105' ' ' MET . 4.5 pp -125.34 151.86 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -133.36 101.67 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HD3' HD12 ' A' ' 80' ' ' LEU . 54.0 Cg_endo -69.77 -27.69 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -45.73 -69.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -132.0 -179.2 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 12.9 mt -89.93 27.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 41.6 p-90 -145.94 158.01 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -135.86 117.05 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.91 104.68 16.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 p -144.18 145.74 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.25 57.4 1.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.89 172.69 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -98.05 131.27 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -71.09 143.09 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.36 38.18 80.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -131.07 166.74 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.688 ' HB3' HG21 ' A' ' 71' ' ' THR . 29.6 tt0 -113.35 130.96 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -134.99 145.35 48.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 p -122.31 156.72 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 94.3 m-85 -137.51 178.55 7.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -162.36 156.81 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 49' ' ' TRP . 46.2 t -135.46 142.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -145.39 136.61 24.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.74 104.1 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.687 ' HG2' HG23 ' A' ' 110' ' ' THR . 48.6 mtm -88.57 121.42 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 159.0 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -45.56 -21.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.439 ' CG ' ' HB2' ' A' ' 26' ' ' ASP . 15.4 m120 -76.29 -45.45 32.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.48 -122.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' HG2' ' A' ' 105' ' ' MET . 25.5 m -130.11 119.52 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.473 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -62.23 -178.27 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 148.28 64.23 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 144.4 54.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -88.8 177.9 6.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 34.2 m120 -56.81 155.49 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -94.29 91.33 6.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 115' ' ' ASN . 95.8 m-85 -84.01 140.94 31.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.7 m -119.45 148.1 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.8 130.13 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -96.82 134.12 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -83.81 143.71 43.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.76 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -40.41 -42.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -164.24 157.92 18.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -174.59 169.66 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.98 175.26 44.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -174.12 173.32 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -174.68 178.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . 158.88 113.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 35.6 m120 -163.28 179.7 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -123.0 163.0 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -116.16 173.71 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.87 -158.83 19.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . . . 173.69 40.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' GLY . 60.7 t -35.62 106.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -95.41 164.22 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.4 p -145.11 151.86 39.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -94.14 151.57 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 20' ' ' THR . 9.6 t0 -149.46 173.54 13.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 19' ' ' ILE . 6.5 mt 42.18 38.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 18' ' ' ASP . 40.9 p -113.63 114.15 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -139.34 141.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.5 m -109.21 82.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' THR . 4.5 m -87.68 26.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -115.67 100.19 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -152.62 -175.07 5.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 108' ' ' ASN . 0.7 OUTLIER -109.32 65.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.69 157.16 76.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 54.2 Cg_endo -69.79 170.62 16.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -128.99 11.04 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.15 122.04 19.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 166.28 28.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.76 153.1 69.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.758 2.306 . . . . 0.0 112.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.26 170.4 9.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER 48.02 48.55 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' PRO . 48.8 t -95.05 95.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -140.53 169.41 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 47' ' ' VAL . 87.5 mt -116.32 159.15 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -148.98 119.85 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.939 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.9 t -90.81 110.47 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.8 -44.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.08 163.28 32.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -58.97 -24.67 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 25.16 6.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -147.78 123.09 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.449 HD11 HG22 ' A' ' 121' ' ' THR . 53.1 mt -134.59 133.07 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.6 tttp -103.12 147.79 26.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 37' ' ' LEU . 85.3 t -134.28 122.45 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.4 m -118.74 159.33 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 66' ' ' ILE . 44.8 p90 -156.16 141.72 17.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.6 mm? -109.22 158.75 33.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.19 68.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 54.2 Cg_endo -69.74 168.91 20.16 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 t -43.71 140.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.47 -61.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ASN . 16.4 p -55.13 -52.48 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.189 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 81.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.0 t30 -76.95 58.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.77 43.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.21 108.14 20.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.59 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 79.3 mt -64.36 77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -26.43 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.11 -160.14 23.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 39.1 m-85 -142.07 154.97 45.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -114.12 145.17 42.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.069 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.4 mt -126.02 104.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB3' ' CG ' ' A' ' 101' ' ' GLN . 3.8 tpp85 -91.94 120.34 32.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -125.08 165.5 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -162.38 166.45 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 19.3 tptm -110.53 148.52 31.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 97' ' ' GLN . 55.1 p -43.5 -33.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 t -51.93 152.16 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -52.38 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -100.06 104.83 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.59 50.77 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -104.77 112.99 26.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mmt -120.15 158.03 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.21 147.96 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.4 m -157.04 135.39 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.3 pp -135.61 144.78 46.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.58 101.63 11.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.74 -29.82 23.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -39.1 -64.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -135.84 -175.69 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 64' ' ' TYR . 6.5 mt -97.26 24.2 6.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 61.3 p-90 -141.34 141.62 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -133.19 132.11 41.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.53 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.5 tm? -112.03 111.08 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -90.14 148.03 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.481 HG23 ' CD1' ' A' ' 88' ' ' LEU . 76.6 p -145.04 136.78 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.88 36.87 1.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.78 172.93 7.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.58 139.37 32.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -74.59 143.8 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.6 47.95 78.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 m -143.61 167.83 21.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 24.6 tt0 -106.84 158.83 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 32.5 m-85 -153.73 140.52 19.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.8 m -107.69 148.07 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -147.21 167.35 24.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.475 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 1.7 pt20 -165.85 170.54 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 49' ' ' TRP . 63.8 t -136.79 138.22 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 m -135.19 125.45 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.33 110.36 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.424 ' HE2' ' C ' ' A' ' 64' ' ' TYR . 16.2 mtm -86.0 124.09 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ASN . 18.8 p -108.08 156.52 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -39.39 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' THR . 70.2 m-80 -81.1 -68.33 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.0 -176.71 36.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.99 139.9 58.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.41 -164.85 40.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.79 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.6 p -48.47 170.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.09 144.37 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.475 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 76.0 m95 -76.41 92.09 3.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -82.06 132.73 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 98' ' ' TYR . 49.7 m -111.75 142.44 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.29 140.3 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -104.44 128.29 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.449 HG22 HD11 ' A' ' 45' ' ' ILE . 68.8 p -82.73 140.43 43.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.939 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.8 120.13 6.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.3 -32.78 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.621 0.724 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.68 41.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -125.83 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.18 141.06 1.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 111.057 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.98 22.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.6 Cg_endo -69.74 173.0 11.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -120.29 168.77 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.2 m120 54.89 42.28 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 32' ' ' PRO . 95.6 t -96.68 93.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -131.39 169.99 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.31 149.09 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.98 110.65 4.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.786 HG11 ' HD3' ' A' ' 122' ' ' PRO . 90.3 t -79.19 112.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' OD1' ' A' ' 41' ' ' ASN . 20.1 t -84.73 -44.86 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -138.04 -179.91 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -67.16 -38.3 85.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -119.25 34.85 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -152.53 133.02 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -146.13 133.42 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' CA ' HD12 ' A' ' 88' ' ' LEU . 28.0 tttt -105.48 123.5 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -108.08 122.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 p -109.3 166.26 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.565 ' HB3' HG21 ' A' ' 102' ' ' VAL . 34.0 p90 -174.61 171.1 3.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 34' ' ' ASN . 47.9 mt -144.28 156.64 57.5 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.01 36.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.45 63.33 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.1 p -75.47 58.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.04 -36.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -87.8 -51.58 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.59 132.31 46.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -95.22 -50.69 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.46 146.7 23.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CE1' HG11 ' A' ' 107' ' ' VAL . 13.8 p90 -61.69 105.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' PHE . 22.5 mm -35.38 121.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.3 p -95.88 -46.4 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -153.02 -159.88 9.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 11.5 m-85 -147.97 144.02 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -98.99 141.54 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -131.37 127.55 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -128.85 114.17 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 25.3 p80 -102.9 148.54 25.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 56.1 mtp180 -125.0 147.92 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 98' ' ' TYR . 1.2 tmtp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.567 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 51.1 mtp . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -99.52 146.78 26.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 m -160.87 148.69 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.91 146.06 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.7 tt0 -134.15 101.58 12.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.76 -22.24 32.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -48.01 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -126.4 -179.72 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.616 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.9 mt -98.2 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -155.24 140.33 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.4 120.23 15.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 46' ' ' LYS . 5.4 tp -96.58 119.71 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.65 114.09 27.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 p -117.72 140.48 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.82 10.42 6.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 17.8 mt -75.34 -175.54 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -112.9 -178.87 3.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -94.52 161.93 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.38 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -119.01 179.64 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -137.45 126.8 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 60.0 m-85 -129.04 146.07 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -125.32 149.6 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -134.61 174.08 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.48 ' OE1' ' CZ2' ' A' ' 116' ' ' TRP . 7.3 pt20 -163.94 134.11 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 49' ' ' TRP . 92.2 t -107.4 141.4 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -136.44 129.25 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.42 133.76 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.402 ' HE3' ' C ' ' A' ' 64' ' ' TYR . 22.1 mtm -115.75 126.56 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -110.24 -178.05 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.479 HG11 ' CE1' ' A' ' 60' ' ' PHE . 18.2 m -64.15 -22.89 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.52 -63.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.58 -159.07 11.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -85.13 141.8 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.26 176.89 40.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.62 26.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.33 14.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.9 p -111.48 -179.25 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -47.38 147.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 69' ' ' ARG . 46.2 m95 -82.1 91.83 6.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -76.38 126.82 31.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 m -108.89 150.73 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.1 140.88 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.3 145.93 37.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.0 p -86.0 148.69 48.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.786 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.3 mt-10 -35.66 -43.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.629 0.728 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.74 158.34 57.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -109.5 8.95 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.08 139.4 15.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 111.079 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -132.18 162.64 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.659 ' HB2' HD12 ' A' ' 50' ' ' LEU . 54.5 t-20 59.15 50.94 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.76 93.32 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -149.43 163.8 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 100' ' ' PHE . 15.3 mt -107.14 153.8 22.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -135.89 120.48 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.736 HG11 ' HD3' ' A' ' 122' ' ' PRO . 60.0 t -88.32 95.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.57 -35.88 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -159.23 -175.18 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -73.94 -20.07 60.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 4.7 ptp180 -130.82 25.11 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -149.19 131.59 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.2 mt -138.52 122.56 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 16.7 tptm -90.33 143.77 26.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.33 140.51 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 p -139.85 171.64 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.861 ' CH2' HD11 ' A' ' 66' ' ' ILE . 42.1 p90 -167.23 173.27 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 34' ' ' ASN . 8.3 mt -144.07 158.48 55.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.361 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.94 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.38 67.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.2 p -51.2 165.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.32 -59.31 4.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.6 p -64.39 -30.42 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -53.32 116.4 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.01 -26.59 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.6 151.72 22.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -53.58 116.22 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.552 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 mp -57.88 102.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -66.62 -33.9 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.89 -152.25 7.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.552 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 89.4 m-85 -150.12 156.6 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 110' ' ' THR . 17.3 ttmm -126.28 128.41 47.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.861 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.1 mt -110.1 118.23 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -103.97 123.52 47.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -139.05 143.76 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -156.72 149.13 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.2 tttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 37.7 ttp . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.717 0.294 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.2 146.33 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 m -156.78 132.23 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.1 pp -135.34 141.9 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 83' ' ' ASN . 3.8 tp10 -134.87 101.57 11.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.73 -32.04 19.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.422 ' HB2' ' CD ' ' A' ' 81' ' ' GLU . 11.3 m-80 -44.02 -69.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -120.78 168.61 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -92.28 28.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.44 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 49.5 p-90 -145.65 139.0 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 66' ' ' ILE . 12.6 t80 -137.37 122.61 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.04 136.84 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.78 128.68 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.0 p -123.46 155.79 36.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.25 36.58 5.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.46 164.15 12.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 163.32 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -86.31 157.72 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.38 51.41 6.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -130.68 166.56 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.31 151.27 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 118' ' ' THR . 77.5 m-85 -152.55 158.73 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 m -130.53 158.54 39.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.672 ' HB2' HD21 ' A' ' 37' ' ' LEU . 82.8 m-85 -148.83 168.85 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.574 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 18.0 tt0 -163.62 160.08 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.63 134.57 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -133.1 121.45 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.08 116.51 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.5 mtm -87.64 131.92 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 p -119.19 -177.34 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.93 -14.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.55 -65.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.73 -163.78 23.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 65' ' ' LYS . 12.4 p -68.53 152.4 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.442 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.66 -162.25 34.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.24 39.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 112.48 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.749 2.3 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.1 p -73.62 158.68 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -41.33 131.84 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 49.7 m95 -74.4 104.45 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -85.76 158.23 20.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 98' ' ' TYR . 4.8 m -137.83 150.77 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.38 143.35 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -109.79 140.41 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.7 p -84.91 143.68 40.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.736 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.49 -37.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 112' ' ' PRO . 54.1 Cg_endo -69.71 167.56 24.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -121.78 -23.33 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.46 140.51 21.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 178.78 4.27 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -118.49 167.99 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.612 ' ND2' HD12 ' A' ' 50' ' ' LEU . 11.9 m-80 48.7 53.76 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.6 t -98.08 88.25 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -128.76 166.38 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 100' ' ' PHE . 29.9 mt -132.55 124.12 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -113.85 129.27 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HD3' ' A' ' 122' ' ' PRO . 92.4 t -86.62 99.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.14 -48.8 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -142.98 -176.43 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 t -74.18 -15.08 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -126.9 -3.84 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -122.77 149.07 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mt -147.09 132.68 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 88' ' ' LEU . 32.9 tptt -95.05 124.77 39.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.45 128.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -136.76 164.29 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.2 p90 -163.1 -178.62 6.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.612 HD12 ' ND2' ' A' ' 34' ' ' ASN . 30.3 mt -153.72 156.07 31.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.59 45.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.96 17.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.77 46.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.7 m -51.16 130.1 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.41 -39.33 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 p -76.6 -42.11 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.44 148.0 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.88 -31.76 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.701 ' O ' HG22 ' A' ' 106' ' ' THR . . . -112.32 120.06 5.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . 23.6 p90 -36.15 118.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.8 mp -59.22 102.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.2 p -68.04 -45.02 75.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.83 -160.0 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.639 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.0 m-85 -142.08 137.81 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.933 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -95.51 125.12 39.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 49' ' ' TRP . 9.4 mt -116.88 107.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -109.89 131.2 55.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -130.46 153.41 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -148.93 148.65 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 18.1 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HG3' ' C ' ' A' ' 77' ' ' MET . 13.5 mt-10 -145.28 113.64 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.443 HG21 ' CE2' ' A' ' 87' ' ' TYR . 7.6 m -123.71 136.91 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.5 pp -138.27 128.3 25.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.6 tt0 -131.78 101.55 15.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.726 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.75 -33.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -39.76 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 27.7 m120 -118.68 155.9 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mt -83.8 36.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 69.1 p-90 -157.74 146.97 19.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.9 t80 -135.1 110.07 8.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -83.08 115.43 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.483 ' N ' HD13 ' A' ' 88' ' ' LEU . 57.8 m-85 -98.96 144.26 28.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.8 p -141.49 159.79 41.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.27 50.35 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.95 161.56 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.03 135.39 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -74.13 148.12 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.36 61.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -123.59 151.12 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -88.9 155.61 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -156.16 164.16 38.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.4 m -131.96 158.48 41.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 37' ' ' LEU . 91.3 m-85 -144.49 168.77 19.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.431 ' OE1' ' NE1' ' A' ' 116' ' ' TRP . 23.2 tt0 -156.62 140.7 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 49' ' ' TRP . 58.4 t -127.82 133.04 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -135.99 148.7 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.96 111.32 23.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.4 mtm -86.57 127.35 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 59' ' ' GLY . 18.5 p -108.36 -176.41 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.26 -16.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.96 -69.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.4 -155.46 7.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.2 m -84.81 125.62 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -66.03 -167.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.47 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 53.5 Cg_endo -69.74 132.76 24.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.99 2.69 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t -53.64 149.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.6 m120 -42.91 126.64 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.431 ' NE1' ' OE1' ' A' ' 101' ' ' GLN . 50.5 m95 -62.11 103.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 78.5 m-85 -84.32 163.98 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.6 m -132.23 124.88 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -116.47 133.12 56.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.72 136.85 47.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.8 p -88.31 143.63 32.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.772 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.72 110.22 2.49 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.1 mt-10 -35.92 -41.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.578 0.704 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 54.1 Cg_endo -69.67 164.45 34.42 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 t -125.83 27.16 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.45 142.83 13.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 169.81 18.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -163.99 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.755 2.303 . . . . 0.0 112.379 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -133.88 160.91 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.823 ' HB2' HD12 ' A' ' 50' ' ' LEU . 40.4 t30 54.96 48.67 19.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.22 85.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.79 165.13 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 47' ' ' VAL . 44.7 mt -125.8 129.06 48.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -110.99 130.98 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.732 HG11 ' HD3' ' A' ' 122' ' ' PRO . 57.8 t -78.73 108.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.798 HG21 ' CD2' ' A' ' 88' ' ' LEU . 10.6 t -79.91 -42.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 61.2 m-20 -167.06 -178.5 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -58.14 -29.46 65.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -129.09 35.32 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -153.85 139.49 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -143.75 127.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -90.52 122.82 33.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 37' ' ' LEU . 60.4 t -108.16 131.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -127.36 159.6 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.796 ' CH2' HD11 ' A' ' 66' ' ' ILE . 23.8 p90 -168.4 158.86 10.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 34' ' ' ASN . 21.6 mt -130.81 157.8 76.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 154.99 67.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.38 21.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.25 42.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -46.57 -45.19 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.56 -62.84 2.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -65.08 -41.41 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -45.47 123.05 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.69 -24.16 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.54 167.89 19.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -76.07 120.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.56 142.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -120.22 -41.52 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.78 -169.89 34.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.1 m-85 -130.86 145.79 52.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -102.17 121.76 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.796 HD11 ' CH2' ' A' ' 49' ' ' TRP . 7.1 mt -113.86 111.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -119.38 138.79 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 77' ' ' MET . 9.8 p-80 -125.79 160.29 30.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.822 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.33 156.29 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 23.0 tptp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 46.3 tpp . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.768 0.318 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -97.02 152.3 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -160.13 127.91 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.438 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.5 pp -112.94 146.12 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.4 tp10 -134.18 101.54 12.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.73 -24.03 30.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -48.24 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 45.1 m-80 -124.72 -177.15 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 15.7 mt -95.39 17.86 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.546 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.5 p-90 -133.04 157.9 44.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.798 ' CD2' HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -98.42 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.516 ' N ' HD13 ' A' ' 88' ' ' LEU . 92.0 m-85 -90.65 148.27 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 88' ' ' LEU . 74.3 p -146.1 137.36 24.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.68 28.08 4.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 177.07 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.317 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.67 147.93 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -82.29 151.29 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.59 66.15 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -154.99 171.39 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.19 134.13 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 30.7 m-85 -131.03 156.02 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 1.5 t -127.39 151.21 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 99' ' ' SER . 6.8 m-85 -141.47 168.41 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.608 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 6.4 tt0 -155.3 135.15 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.618 HG11 ' CB ' ' A' ' 49' ' ' TRP . 25.3 t -121.05 131.68 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 168.72 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.88 112.63 18.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.783 ' HG3' HG23 ' A' ' 110' ' ' THR . 3.1 mpp? -95.61 140.87 29.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 p -115.96 179.93 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.16 -16.7 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -91.96 -69.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.25 -170.11 21.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 105' ' ' MET . 14.2 m -79.72 138.45 37.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.428 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -79.99 -176.64 49.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 146.41 59.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.74 46.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -89.97 155.17 19.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -38.37 141.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.608 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 69.1 m95 -81.76 95.24 7.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.92 125.43 29.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -103.0 128.78 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.5 142.61 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -107.0 151.84 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.6 p -102.39 144.07 27.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.71 133.23 25.15 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.92 -29.52 60.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.681 0.753 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.76 146.28 59.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -115.09 -29.46 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.41 120.71 76.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 165.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.7 20.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.1 174.99 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 t30 51.45 38.41 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -87.76 87.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 m -137.25 162.95 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 100' ' ' PHE . 61.0 mt -114.18 136.24 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -121.39 144.6 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.599 HG11 ' HD3' ' A' ' 122' ' ' PRO . 72.1 t -103.38 127.07 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.56 -36.98 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -144.11 -178.95 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 m -76.44 -20.48 57.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.05 3.67 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.93 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 92' ' ' LEU . 62.1 mt -138.24 131.66 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -98.42 147.98 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.13 126.72 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 p -121.14 162.41 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.902 ' CH2' HD11 ' A' ' 66' ' ' ILE . 45.6 p90 -161.02 157.81 26.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -131.58 155.39 81.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.14 64.29 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.49 34.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.44 66.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -56.02 168.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.75 -46.24 3.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -85.94 -26.17 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -55.52 124.73 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -113.26 57.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.12 176.65 14.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -92.88 102.98 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.8 mp -54.1 106.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.2 p -87.54 -50.02 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 -153.71 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.665 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.0 m-85 -152.39 147.25 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -108.08 110.76 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.902 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.5 mt -98.92 106.32 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -98.36 125.77 43.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -136.52 171.0 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -170.91 163.73 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.747 0.308 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -146.1 161.62 39.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 80' ' ' LEU . 96.4 m -156.25 152.85 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -129.19 140.49 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.5 tp10 -134.68 101.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.78 -29.35 23.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 12.5 m-80 -36.61 -64.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -146.96 174.4 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 9.0 mt -84.46 35.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -149.84 140.45 22.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -137.14 119.87 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.2 tm? -94.79 103.28 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -82.14 147.23 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 p -144.27 152.29 40.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.38 47.41 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.586 HD13 HD12 ' A' ' 45' ' ' ILE . 11.1 mt -108.48 138.94 43.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.97 146.08 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.58 148.39 42.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.27 72.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 m -158.83 155.14 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.424 HE21 HG22 ' A' ' 118' ' ' THR . 8.0 tp60 -86.86 140.54 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -139.57 131.62 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -104.99 155.67 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 37' ' ' LEU . 48.8 m-85 -145.44 175.49 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -169.11 165.4 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.891 HG11 ' CB ' ' A' ' 49' ' ' TRP . 43.0 t -149.39 135.43 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 t -135.83 142.47 44.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.73 111.77 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.1 mtm -89.18 133.66 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.8 p -114.81 165.46 12.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.1 p -49.46 -18.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -90.72 -75.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.86 -162.45 10.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.2 m -95.86 141.14 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.77 -165.68 39.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.47 65.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 126.82 13.77 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.4 t -69.6 154.2 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.3 m120 -37.48 130.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -73.34 108.22 6.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 92.1 m-85 -96.38 158.72 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.424 HG22 HE21 ' A' ' 97' ' ' GLN . 53.2 m -137.89 140.43 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.75 142.74 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 10.6 mt-10 -105.52 128.13 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.3 p -78.93 140.04 57.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.133 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.599 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.4 Cg_endo -69.71 109.67 2.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 122' ' ' PRO . 24.1 mm-40 -36.36 -40.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.609 0.719 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.82 55.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -125.1 34.31 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.25 139.3 17.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.84 40.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.5 Cg_endo -69.79 179.34 3.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -122.69 158.85 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.674 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.6 t-20 57.63 40.23 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.647 HG21 ' HG2' ' A' ' 32' ' ' PRO . 77.0 t -84.19 99.92 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.9 t -139.24 158.31 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.52 131.95 54.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 45' ' ' ILE . 3.9 mm-40 -108.6 161.97 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG11 ' HD3' ' A' ' 122' ' ' PRO . 88.5 t -112.92 95.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.742 HG12 ' ND2' ' A' ' 41' ' ' ASN . 44.3 t -68.77 -47.46 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.742 ' ND2' HG12 ' A' ' 40' ' ' VAL . 60.9 m-80 -160.88 -175.49 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -66.14 -39.28 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -113.97 29.15 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -150.85 145.83 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 38' ' ' GLU . 70.5 mt -149.54 142.25 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -108.48 128.96 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.2 126.67 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.8 p -128.54 172.94 10.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.711 ' CB ' HG11 ' A' ' 102' ' ' VAL . 46.2 p90 -168.86 155.15 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.9 mm? -117.82 158.81 44.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 149.45 66.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.51 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -38.98 -53.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.05 -72.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 p -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.1 96.68 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -114.44 33.16 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.36 148.74 18.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -69.81 109.13 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 105' ' ' MET . 64.2 mt -70.41 119.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.9 p -92.45 -39.18 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.6 -159.34 9.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 32.4 m-85 -148.81 145.09 27.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -99.62 151.12 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.8 mt -134.54 109.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -99.87 121.58 41.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 6.0 p-80 -122.33 127.83 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -137.69 151.97 48.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 tttm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.769 0.318 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.56 138.6 31.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.1 m -159.78 113.77 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 82' ' ' PRO . 3.7 pp -118.16 137.97 52.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.9 101.61 51.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.668 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.77 -30.08 22.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -43.36 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 53.5 m-80 -141.87 -178.98 5.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 mt -91.69 43.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.432 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.6 p-90 -154.39 146.73 23.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.717 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 2.9 t80 -140.1 122.11 15.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.6 tm? -101.32 107.74 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.717 ' CE1' ' CD1' ' A' ' 87' ' ' TYR . 86.9 m-85 -89.68 150.73 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' CD1' ' A' ' 88' ' ' LEU . 22.8 p -152.4 148.9 28.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 20.65 8.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.2 173.71 9.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -109.98 153.93 23.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.54 166.23 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 41.12 70.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 p -153.03 179.93 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.49 120.02 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -120.6 138.82 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.2 m -106.05 160.55 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -147.82 173.6 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 113' ' ' PRO . 8.1 tt0 -162.56 140.48 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.711 HG11 ' CB ' ' A' ' 49' ' ' TRP . 42.5 t -127.56 138.2 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -145.13 134.67 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -77.11 124.83 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.763 ' HG2' HG23 ' A' ' 110' ' ' THR . 17.2 mtm -102.38 144.72 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -127.57 167.58 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.22 -15.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -88.53 -60.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.49 -150.34 6.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.763 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.0 OUTLIER -117.96 128.52 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.98 -171.24 19.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.4 57.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.426 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 53.1 Cg_endo -69.83 128.11 15.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 p -61.0 178.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -54.81 142.09 30.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -79.25 92.67 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.404 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 91.2 m-85 -80.72 163.17 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.021 0.439 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 49.1 m -145.66 140.6 27.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.57 131.41 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.73 125.66 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.3 p -63.98 143.89 98.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.8 108.81 2.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -37.32 -41.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.5 Cg_endo -69.76 139.81 41.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -113.67 43.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.8 4.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.81 143.49 50.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -95.72 160.8 14.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.81 54.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 35' ' ' VAL . 90.3 t -105.73 82.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -124.09 156.25 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 119' ' ' ALA . 20.4 mt -104.82 135.25 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 98.0 t -66.63 98.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' H ' ' A' ' 46' ' ' LYS . 46.8 t -68.75 -50.07 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' ND2' HG12 ' A' ' 40' ' ' VAL . 80.7 m-20 -155.43 -175.22 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -65.04 -34.61 78.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -119.23 31.63 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -154.97 139.21 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.634 HD12 HD13 ' A' ' 92' ' ' LEU . 95.6 mt -142.56 125.37 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' H ' HG23 ' A' ' 40' ' ' VAL . 22.7 tptp -91.2 132.1 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.51 118.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 t -123.27 169.0 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 86' ' ' TRP . 40.9 p90 -164.43 164.01 22.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.4 mt -129.53 156.22 78.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 160.53 49.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.53 27.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.38 12.76 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 p -68.49 147.73 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.08 -63.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -59.81 -24.22 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.727 0.299 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.56 121.43 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -110.39 -50.95 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.66 158.69 14.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -70.73 105.25 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 64' ' ' TYR . 44.1 mt -50.61 120.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -101.41 -6.81 23.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.05 -165.4 38.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.739 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.0 m-85 -144.4 139.78 28.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -89.18 130.98 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' CH2' ' A' ' 49' ' ' TRP . 35.5 mt -123.52 104.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtt-85 -101.03 121.09 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -113.6 118.32 34.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.1 ttt-85 -119.09 148.8 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 74.1 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.714 0.292 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.86 165.84 24.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 m -160.75 113.95 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.876 HD21 ' CE ' ' A' ' 105' ' ' MET . 11.2 mt -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tp10 -133.68 101.65 12.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -21.62 33.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.412 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 81' ' ' GLU . 27.8 m120 -44.54 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -147.73 -177.94 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 3.8 mt -83.72 34.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 42.1 p-90 -147.02 143.58 28.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.76 117.62 14.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -96.01 107.22 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -88.89 145.79 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 p -142.33 160.45 40.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.08 48.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 45' ' ' ILE . 11.5 mt -81.82 150.65 27.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.28 135.83 38.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -70.39 150.08 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.02 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -150.85 163.28 39.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 118' ' ' THR . 31.7 tt0 -110.0 133.35 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 118' ' ' THR . 61.6 m-85 -133.96 145.48 49.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.595 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 3.8 m -114.24 159.43 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 99' ' ' SER . 15.1 m-85 -154.34 155.01 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -149.89 122.86 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.532 HG11 ' CB ' ' A' ' 49' ' ' TRP . 93.0 t -97.9 144.06 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.5 p -151.44 138.13 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -88.47 118.04 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.876 ' CE ' HD21 ' A' ' 80' ' ' LEU . 40.0 mtm -98.15 144.94 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.0 p -125.98 177.98 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.26 -13.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -93.11 -68.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -161.08 -150.15 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.584 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.1 m -109.31 125.31 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.462 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.15 -164.86 0.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.3 44.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.27 32.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.3 p -81.04 157.06 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 11.8 m120 -43.09 135.65 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -76.16 94.17 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 49.3 m-85 -85.42 150.29 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 97' ' ' GLN . 87.0 m -128.05 146.6 50.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -137.63 130.32 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -102.24 135.8 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -84.3 142.48 40.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.538 0.685 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.3 -39.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.76 118.1 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.218 . . . . 0.0 112.376 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 m -90.72 11.4 22.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.93 140.29 37.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.42 18.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -133.18 149.9 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' HD23 ' A' ' 50' ' ' LEU . 44.2 t-20 68.04 50.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.84 91.15 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.7 t -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 100' ' ' PHE . 26.4 mt -120.09 128.84 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 45' ' ' ILE . 30.5 tt0 -112.56 127.43 56.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 122' ' ' PRO . 47.3 t -85.37 111.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 85.6 t -91.82 -36.29 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 81.2 m-20 -162.88 176.55 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.4 p -72.04 -11.6 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -130.94 0.49 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' HG22 ' A' ' 90' ' ' THR . 3.9 m -131.34 150.36 52.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 38' ' ' GLU . 76.7 mt -153.08 136.21 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -97.54 135.69 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.1 117.99 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 p -117.66 166.27 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.1 p90 -168.88 147.89 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 34' ' ' ASN . 1.4 mm? -114.12 157.36 42.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.59 56.47 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 131.04 20.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' PRO . 13.1 m -37.74 -33.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.53 -79.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.2 p -57.97 -25.47 61.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.8 tt0 -36.36 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -56.37 -43.83 79.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.63 -170.9 25.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.62 96.66 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.699 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -42.35 112.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -84.17 -46.99 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.29 179.89 26.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 39.4 m-85 -127.65 146.25 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -107.23 123.88 48.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 ' CH2' ' A' ' 49' ' ' TRP . 56.4 mt -116.21 107.32 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -106.75 120.32 41.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -121.12 125.35 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -115.03 169.27 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 13.9 tptm . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.71 0.291 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 1.5 pp20? -93.43 153.25 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.459 HG21 ' CE2' ' A' ' 87' ' ' TYR . 17.1 m -157.78 133.88 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.3 pp -127.04 137.5 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -133.1 101.56 13.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.682 0.753 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.6 31.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -54.72 -60.67 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -140.6 -179.86 6.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.79 24.2 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -136.96 143.77 43.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.5 t80 -141.19 114.03 8.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tp -92.83 132.71 36.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 26.6 m-85 -114.79 118.05 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.44 HG22 ' OG ' ' A' ' 44' ' ' SER . 10.4 p -117.68 152.18 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 43.03 3.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -105.88 169.58 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.85 143.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -79.47 141.16 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.24 41.01 80.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 168.6 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.408 ' CG ' ' CG2' ' A' ' 118' ' ' THR . 22.6 tt0 -103.92 154.26 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 90.4 m-85 -154.35 132.84 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -111.17 148.29 33.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.747 ' HB2' HD21 ' A' ' 37' ' ' LEU . 87.8 m-85 -134.75 158.02 45.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 114' ' ' SER . 1.5 tp-100 -146.87 141.99 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.615 HG11 ' CB ' ' A' ' 49' ' ' TRP . 15.7 t -129.33 128.69 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -133.21 133.02 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.77 117.82 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.645 ' CG ' HG23 ' A' ' 110' ' ' THR . 11.2 mtm -100.65 149.87 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.6 p -126.05 -177.88 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.21 -5.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -104.0 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.38 -149.05 4.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.645 HG23 ' CG ' ' A' ' 105' ' ' MET . 2.8 m -125.29 147.09 49.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -82.33 179.09 53.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.44 57.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.7 7.43 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.486 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 1.0 OUTLIER -63.77 178.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 17.5 m-20 -56.64 131.1 47.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -65.67 118.62 9.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 80.6 m-85 -102.16 136.3 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' CG ' ' A' ' 97' ' ' GLN . 21.2 m -121.16 140.26 52.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.29 131.84 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.92 148.88 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.1 p -96.47 145.85 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.746 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.79 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -44.11 -36.69 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' HD2' ' A' ' 112' ' ' PRO . 53.4 Cg_endo -69.76 175.76 7.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -133.42 21.87 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.84 140.5 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.47 18.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.36 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.22 157.42 34.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.551 ' HB2' HD12 ' A' ' 50' ' ' LEU . 11.4 t30 61.09 48.28 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.48 89.77 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -142.44 155.79 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.597 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 83.1 mt -101.61 138.95 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -128.1 106.36 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG11 ' HD3' ' A' ' 122' ' ' PRO . 61.8 t -80.15 125.82 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD1' ' A' ' 41' ' ' ASN . 36.0 t -107.89 -40.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.649 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -141.49 163.56 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -63.67 -16.73 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -129.22 16.86 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -144.59 138.07 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.4 mt -145.22 140.07 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -106.59 139.44 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.39 117.24 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -114.37 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 1.071 ' CH2' HD11 ' A' ' 66' ' ' ILE . 48.2 p90 -170.97 178.92 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 34' ' ' ASN . 36.5 mt -150.03 157.31 37.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.65 68.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.37 19.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.77 124.8 11.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' PRO . 47.8 m -35.37 140.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.36 -40.28 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.8 p -89.76 -23.8 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -94.33 56.6 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -59.26 -12.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . . . -109.82 122.53 6.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLY . 11.9 t80 -36.3 136.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -79.31 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -110.01 -41.43 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -177.8 -154.49 12.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 15.8 m-85 -143.82 136.79 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.908 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -93.64 118.92 32.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.071 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.9 mt -108.14 109.84 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -105.1 114.6 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 14.1 p-80 -115.25 147.75 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -169.12 163.26 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' CE ' ' CE1' ' A' ' 98' ' ' TYR . 24.4 ttmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.563 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.9 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.67 134.06 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.9 m -159.43 109.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.6 pp -115.78 141.49 48.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -126.13 113.28 23.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.1 Cg_endo -69.76 -38.97 7.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' PRO . 67.3 m-80 -36.41 -66.4 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -135.27 -177.26 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.55 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.9 mt -97.23 17.65 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -127.26 143.81 51.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -138.89 116.72 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -93.54 107.36 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.962 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -84.8 148.51 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -145.82 135.13 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.99 32.12 1.93 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.2 mt -96.48 -179.62 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -99.7 173.57 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -99.83 163.33 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 35.5 58.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -139.81 173.53 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -115.63 134.25 55.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 118' ' ' THR . 7.5 m-85 -130.44 164.92 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 24.7 m -138.7 157.98 45.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 68' ' ' HIS . 34.3 m-85 -152.53 176.6 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' CD1' ' A' ' 116' ' ' TRP . 21.0 tt0 -165.22 141.09 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.612 HG11 ' CB ' ' A' ' 49' ' ' TRP . 16.1 t -119.33 132.8 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -134.45 131.86 38.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.78 119.02 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.3 mtm -94.76 132.72 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 59' ' ' GLY . 7.7 p -107.43 -175.93 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 107' ' ' VAL . 8.5 p -61.84 -10.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -99.57 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.53 -156.57 8.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 m -87.43 127.66 35.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -69.76 -160.59 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD2' ' HG2' ' A' ' 28' ' ' PRO . 53.9 Cg_endo -69.78 133.56 25.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.428 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 79.5 p -65.97 179.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -62.24 135.96 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.583 ' CD1' ' NE2' ' A' ' 101' ' ' GLN . 48.9 m95 -73.36 95.35 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -75.98 145.42 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 98' ' ' TYR . 86.7 m -119.79 135.43 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -125.31 131.79 52.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -104.39 120.33 40.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.8 p -70.16 143.9 91.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.524 0.678 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.758 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.75 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -49.23 -29.82 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.8 157.13 61.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 8.79 11.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.98 132.43 24.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 168.63 20.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.24 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.7 172.47 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.877 ' HB2' HD12 ' A' ' 50' ' ' LEU . 42.9 t30 50.44 37.2 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.9 t -83.88 90.74 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -135.98 168.03 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.752 ' CD2' HG22 ' A' ' 47' ' ' VAL . 19.6 mt -123.82 147.18 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.87 106.76 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG11 ' HD3' ' A' ' 122' ' ' PRO . 41.2 t -67.35 109.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.76 -45.91 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -147.87 -178.93 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -78.61 -13.56 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -129.05 4.48 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -139.24 133.15 30.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.433 HG13 HD12 ' A' ' 92' ' ' LEU . 8.8 mt -137.6 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -97.74 136.41 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.752 HG22 ' CD2' ' A' ' 37' ' ' LEU . 53.8 t -130.6 118.64 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -120.31 163.65 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 48.6 p90 -157.29 -178.87 7.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD12 ' HB2' ' A' ' 34' ' ' ASN . 35.0 mt -149.52 157.57 38.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 160.67 48.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -53.66 165.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . . . 77.01 -80.9 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' GLY . 10.2 p -35.82 -36.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.4 114.78 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.87 -50.11 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.08 171.69 15.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -80.75 107.93 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 77.7 mt -57.03 128.37 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -106.96 -43.48 4.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -151.0 -148.88 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CE1' HD22 ' A' ' 85' ' ' LEU . 53.6 m-85 -153.74 165.67 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -125.39 130.28 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.8 112.54 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -101.61 112.33 24.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -123.89 136.61 54.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -146.24 147.79 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 18.3 tptp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.2 tpt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.741 0.305 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 1.2 pp20? -112.5 152.34 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -157.7 118.3 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -107.99 137.43 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.2 tt0 -132.72 101.6 14.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.4 Cg_endo -69.78 -21.41 33.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -44.84 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -128.48 171.55 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 23.9 mt -84.01 16.51 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -141.76 154.68 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.473 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.2 t80 -134.12 120.09 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.3 tm? -97.41 108.09 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.6 m-85 -90.5 145.56 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p -137.62 138.77 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.94 50.37 2.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 45' ' ' ILE . 26.0 mt -106.1 161.24 14.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.756 0.312 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.0 142.44 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -77.72 156.71 30.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.91 59.62 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 m -142.07 161.69 37.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -90.43 142.22 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.588 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.6 m-85 -148.09 121.88 9.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -105.38 135.75 46.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -125.24 147.13 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.639 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 17.3 tt0 -139.32 141.32 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 49' ' ' TRP . 46.6 t -123.71 145.18 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -144.29 138.03 27.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.26 132.72 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 30.3 mtm -109.82 131.29 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.6 p -116.05 158.44 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -39.45 -30.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -70.03 -74.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.61 -130.15 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 105' ' ' MET . 57.9 m -122.23 119.47 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.95 165.2 34.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 54.2 Cg_endo -69.72 -175.18 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.6 p -120.27 172.97 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 8.1 m-20 -41.56 135.84 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.639 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 62.8 m95 -67.03 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 115' ' ' ASN . 94.8 m-85 -79.32 141.37 37.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -126.44 146.01 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.37 131.75 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -95.17 137.05 34.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.2 p -85.34 147.49 47.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.68 113.36 3.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.425 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -41.92 -35.02 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.63 0.728 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.79 165.66 30.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -120.19 -34.35 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -88.92 136.79 30.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 53.8 Cg_endo -69.78 168.96 20.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.471 ' NE2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mp0 -118.56 172.47 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.788 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.1 m-80 49.81 41.79 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.0 83.19 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -127.31 149.9 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.61 HD23 HG13 ' A' ' 47' ' ' VAL . 12.5 mt -109.55 132.14 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -105.82 148.44 27.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.1 t -106.99 100.07 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.39 -47.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -146.83 -176.35 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p -82.82 -20.06 36.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -109.7 -19.04 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -117.51 155.9 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.8 mt -150.45 135.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -99.05 134.49 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 HD23 ' A' ' 37' ' ' LEU . 58.6 t -131.75 117.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.7 p -120.95 172.9 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 85' ' ' LEU . 48.9 p90 -173.4 170.05 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.788 HD12 ' CG ' ' A' ' 34' ' ' ASN . 86.1 mt -131.38 153.79 81.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.7 52.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HB2' HG23 ' A' ' 56' ' ' THR . 53.7 Cg_endo -69.79 160.05 51.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD3' ' NE2' ' A' ' 33' ' ' GLN . 53.7 Cg_endo -69.79 143.52 50.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.2 t -34.32 -43.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.44 -49.44 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 30' ' ' ALA . 8.8 t -114.56 51.35 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -120.2 41.88 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -59.82 -40.74 89.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.2 143.1 16.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.76 116.34 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 mt -59.71 133.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.0 p -120.22 -41.21 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.92 -172.07 22.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 14.7 m-85 -139.09 147.62 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.905 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -109.05 114.26 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD11 ' CH2' ' A' ' 49' ' ' TRP . 15.5 mt -101.61 129.32 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -118.8 113.15 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.96 119.3 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.497 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 6.8 ttt180 -121.24 149.3 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HE2' ' CE1' ' A' ' 98' ' ' TYR . 26.1 tptp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 mtp . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.696 0.284 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.29 141.85 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.7 m -158.34 138.7 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.14 150.8 47.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.4 tt0 -134.28 101.77 12.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 54.0 Cg_endo -69.76 -30.07 22.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' PRO . 32.0 m120 -38.15 -65.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -148.82 -179.7 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 30.9 mt -83.48 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -152.83 142.83 22.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 2.7 t80 -133.63 117.89 17.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.66 118.23 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 87' ' ' TYR . 94.5 m-85 -102.72 149.39 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.3 p -142.39 152.68 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.01 64.78 2.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.0 mt -124.12 155.78 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.33 133.2 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -78.95 145.0 34.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.35 50.74 63.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -139.71 160.12 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -99.35 133.81 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 70' ' ' LYS . 26.8 m-85 -127.27 151.72 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -118.56 138.95 52.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.01 163.66 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -159.62 140.17 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 49' ' ' TRP . 68.8 t -115.05 143.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.5 m -140.58 133.52 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.46 113.44 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.501 ' HG2' HG23 ' A' ' 110' ' ' THR . 69.4 mtm -91.8 134.96 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.8 p -123.75 163.77 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.8 p -43.44 -37.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -69.76 -47.5 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.49 -179.52 40.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.501 HG23 ' HG2' ' A' ' 105' ' ' MET . 6.0 m -64.61 133.4 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.423 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -76.94 -170.03 32.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.58 40.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.218 . . . . 0.0 112.409 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 7.2 t -58.95 165.21 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 115' ' ' ASN . 9.0 m-80 -47.79 159.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -94.7 95.14 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -81.56 146.14 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -120.9 138.76 53.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.19 134.19 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -108.2 125.67 51.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -82.01 144.7 51.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.524 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.73 111.12 2.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -39.32 -41.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 124' ' ' ASN . 13.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.673 0.749 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.78 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 m -123.24 -14.25 7.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -116.68 143.18 30.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.53 18.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -131.16 161.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.523 ' HB2' HD12 ' A' ' 50' ' ' LEU . 66.6 t30 57.28 45.86 19.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -91.42 94.97 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 m -144.67 166.19 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 119' ' ' ALA . 31.9 mt -118.18 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.23 130.4 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.642 HG11 ' HD3' ' A' ' 122' ' ' PRO . 99.6 t -96.25 103.58 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -86.02 -47.26 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -143.8 -178.64 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -76.93 -22.11 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -120.69 -2.0 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 m -125.53 129.09 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mt -130.43 141.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HD23 ' A' ' 88' ' ' LEU . 12.4 tptm -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.1 118.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 166.57 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 66' ' ' ILE . 47.1 p90 -170.08 174.85 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 34' ' ' ASN . 14.4 mt -138.5 158.95 69.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 53.3 Cg_endo -69.85 154.64 67.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.77 168.28 22.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.68 131.33 21.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' PRO . 23.1 m -36.25 -36.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.49 -77.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 30' ' ' ALA . 13.1 t -71.87 -41.27 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.164 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 56' ' ' THR . 30.1 tt0 -39.29 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -116.87 72.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.26 125.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 100.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 50.0 mt -54.94 123.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.2 p -91.79 -45.43 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.59 -164.93 14.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.774 ' O ' HD23 ' A' ' 80' ' ' LEU . 60.4 m-85 -138.5 145.12 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HD3' ' CE ' ' A' ' 105' ' ' MET . 0.7 OUTLIER -96.73 140.69 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 ' CH2' ' A' ' 49' ' ' TRP . 14.5 mt -137.47 106.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -105.17 144.22 32.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 47.7 p-80 -126.14 159.56 32.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -166.66 155.12 10.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 3.7 tppt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 73.5 mtp . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.751 0.31 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.67 163.7 32.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.2 m -159.86 109.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.875 HD21 ' CE ' ' A' ' 105' ' ' MET . 10.1 mt -85.45 136.91 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -134.99 101.11 11.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.681 0.753 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.6 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PRO . 35.2 m-80 -34.42 -71.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.519 ' HB2' ' CD1' ' A' ' 86' ' ' TRP . 54.6 m-80 -153.12 -177.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.692 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -84.62 31.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 84' ' ' ASN . 62.0 p-90 -141.9 144.51 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -138.67 123.53 18.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' HD3' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -106.53 105.45 15.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -87.91 150.33 23.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.3 p -143.04 137.2 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 57.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.07 170.04 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.4 155.21 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.5 pttt -87.47 172.02 10.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 36.27 33.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 11.1 p -113.06 166.54 11.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.728 HE21 HG21 ' A' ' 118' ' ' THR . 61.6 tt0 -109.99 145.9 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.72 ' O ' HG23 ' A' ' 118' ' ' THR . 43.5 m-85 -149.47 158.73 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -136.79 137.42 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -131.83 162.33 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.497 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 3.6 pt20 -149.37 165.61 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.0 t -136.95 133.55 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -128.6 117.87 21.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 105.19 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.875 ' CE ' HD21 ' A' ' 80' ' ' LEU . 21.4 mtm -87.48 138.56 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.5 p -124.34 -177.51 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 107' ' ' VAL . 8.9 p -54.99 -13.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.46 -70.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.77 -145.0 4.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 105' ' ' MET . 0.7 OUTLIER -94.3 144.89 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.79 -167.72 43.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.41 13.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 t -50.02 168.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -49.24 148.51 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 40.0 m95 -75.83 98.83 4.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -81.5 153.28 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.728 HG21 HE21 ' A' ' 97' ' ' GLN . 82.1 m -138.94 131.34 28.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -118.38 128.11 54.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.34 124.13 38.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 48.0 p -71.91 136.31 82.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.642 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.71 -35.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 123.1 9.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -92.9 -38.77 11.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -76.84 141.56 68.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.693 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 164.5 34.23 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.51 68.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.541 ' HB2' HD12 ' A' ' 50' ' ' LEU . 16.4 t30 65.11 40.17 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.47 104.93 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -155.38 162.64 40.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 100' ' ' PHE . 13.7 mt -114.53 129.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.04 124.05 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 62.0 t -85.63 116.06 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t -94.6 -45.55 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -150.17 -179.17 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 p -73.39 -22.86 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -124.2 18.97 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -147.62 133.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 121' ' ' THR . 91.3 mt -140.47 128.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -96.34 141.8 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.7 118.89 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.9 p -116.99 155.95 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.9 p90 -156.05 170.36 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 34' ' ' ASN . 26.5 mt -139.68 155.48 71.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.3 53.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.7 69.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -53.73 -23.8 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -51.91 -62.53 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 30' ' ' ALA . 14.3 t -85.05 -20.11 30.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 111.206 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -49.88 91.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -122.13 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.71 138.84 3.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -70.84 104.64 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.7 mp -48.71 144.21 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 p -122.69 -22.2 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.94 -162.62 23.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.1 m-85 -149.39 143.95 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.961 0.41 . . . . 0.0 110.914 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -99.9 125.43 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.574 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.0 mt -121.73 107.04 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -100.55 131.88 46.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -134.71 154.92 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -170.65 179.11 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.96 143.87 26.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -152.52 139.15 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -135.57 139.08 43.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 2.7 tt0 -132.57 101.53 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.7 Cg_endo -69.74 -26.64 27.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.388 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 22.0 m-80 -37.45 -66.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 47.5 m-80 -136.14 -175.74 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.678 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.6 mt -97.17 21.04 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 68.1 p-90 -134.38 146.8 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.772 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 2.7 t80 -133.67 128.11 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.2 tm? -106.6 107.41 18.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.772 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.3 m-85 -98.34 144.36 27.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 88' ' ' LEU . 13.9 p -144.38 150.96 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.04 58.72 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.59 159.47 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.61 123.94 28.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -56.95 143.54 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 62.7 70.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -156.41 171.67 19.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -113.02 139.58 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -136.84 150.38 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -108.47 159.18 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.564 ' CB ' HD21 ' A' ' 37' ' ' LEU . 85.6 m-85 -150.55 170.45 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 102' ' ' VAL . 8.5 tt0 -169.97 150.07 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 49' ' ' TRP . 48.2 t -133.37 145.93 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -154.03 120.85 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 124.86 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.652 ' HG2' HG23 ' A' ' 110' ' ' THR . 36.7 mtm -103.7 130.34 51.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -111.86 172.58 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.28 -31.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -73.66 -53.38 10.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.18 -168.79 38.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.652 HG23 ' HG2' ' A' ' 105' ' ' MET . 3.5 m -98.9 160.96 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 110' ' ' THR . . . -105.32 -177.4 24.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.55 65.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 135.69 30.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.9 p -77.86 166.28 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -46.93 131.26 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -67.84 100.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -81.71 132.3 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.62 147.03 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -136.85 127.4 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -100.67 113.95 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -64.95 144.29 99.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.172 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.3 Cg_endo -69.72 140.64 43.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.57 -23.06 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.625 0.726 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.54 38.07 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -114.43 43.53 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.93 134.21 8.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.575 0.703 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.8 Cg_endo -69.76 176.03 7.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -114.05 167.2 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.5 m-20 45.98 51.34 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' A' ' 32' ' ' PRO . 98.1 t -91.19 87.53 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -128.11 163.9 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.44 122.74 41.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -104.94 134.52 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 ' HD3' ' A' ' 122' ' ' PRO . 69.7 t -95.71 101.64 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -82.44 -48.0 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -143.94 -175.89 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.8 p -83.21 -18.57 38.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -118.37 -13.8 9.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 1.6 m -113.6 159.61 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 44' ' ' SER . 11.4 mt -157.67 143.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -110.22 126.17 53.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.02 117.89 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.3 p -122.08 177.83 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CG ' HG11 ' A' ' 102' ' ' VAL . 43.2 p90 -174.27 171.62 3.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 34' ' ' ASN . 65.1 mt -134.42 154.09 79.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 156.72 62.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 53.3 Cg_endo -69.81 170.0 17.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 150.3 68.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.4 p -57.35 -15.66 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.2 -34.71 45.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -97.22 -19.78 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 111.099 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 59.9 mt-30 -68.74 125.31 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -30.13 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.35 179.39 16.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -83.41 123.83 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 HG22 ' A' ' 106' ' ' THR . 50.9 mm -63.11 118.72 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -101.9 -45.57 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -160.26 -171.51 26.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.673 ' O ' HD23 ' A' ' 80' ' ' LEU . 6.7 m-85 -138.31 128.13 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.53 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD11 ' CH2' ' A' ' 49' ' ' TRP . 8.1 mt -118.79 107.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -99.61 127.54 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.552 ' CE1' ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -121.28 155.91 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -154.8 148.8 25.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.552 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 1.9 ptt? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -127.68 152.62 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.401 HG21 ' CE2' ' A' ' 87' ' ' TYR . 48.1 m -151.31 114.19 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 64' ' ' TYR . 11.7 mt -90.44 140.03 30.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.28 101.37 12.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.9 Cg_endo -69.72 -39.1 6.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' PRO . 11.6 m120 -34.34 -70.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.84 176.65 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.4 mt -88.44 31.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.453 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 67.6 p-90 -148.66 150.65 33.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CE2' HG21 ' A' ' 79' ' ' THR . 5.5 t80 -136.07 110.91 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.81 124.2 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.46 152.63 21.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -148.42 158.19 43.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.85 50.99 3.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -114.15 152.48 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -77.17 125.84 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -64.55 133.52 52.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.44 47.86 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -141.33 155.37 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -92.78 139.99 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -139.07 152.5 47.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 146.03 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -145.88 153.13 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.85 166.88 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.552 HG11 ' CG ' ' A' ' 49' ' ' TRP . 92.2 t -141.37 134.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -130.13 136.53 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.39 129.9 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.611 ' CE ' HD11 ' A' ' 80' ' ' LEU . 22.8 mtm -117.85 137.35 52.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.543 HG22 HD13 ' A' ' 61' ' ' ILE . 58.2 p -120.07 174.73 6.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -54.39 -23.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -78.66 -64.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.08 -138.08 2.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.8 m -124.79 134.4 52.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.83 -166.55 39.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.54 53.07 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 p -76.69 168.39 20.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -57.92 160.39 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -83.1 90.17 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -79.93 127.26 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.0 m -103.69 142.35 34.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.83 141.6 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -111.49 125.32 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 p -83.77 141.73 41.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.532 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.73 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.96 -37.63 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.77 166.24 28.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.638 2.225 . . . . 0.0 112.367 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -127.47 32.66 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 124.51 2.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.6 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.63 49.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -109.5 178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.813 ' HB2' HD12 ' A' ' 50' ' ' LEU . 61.9 t30 50.42 44.61 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.2 89.58 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.0 m -129.43 169.96 14.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 119' ' ' ALA . 51.0 mt -118.79 136.34 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -125.49 106.63 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.518 HG11 ' HD3' ' A' ' 122' ' ' PRO . 86.3 t -73.79 97.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.8 -52.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.0 178.53 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -64.1 -23.16 67.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -129.44 30.98 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -155.22 127.41 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' CD1' ' A' ' 92' ' ' LEU . 71.3 mt -137.16 122.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.3 ttmt -98.62 126.79 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 61.6 t -116.38 121.35 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -113.68 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.616 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 34.1 p90 -170.71 174.59 4.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.813 HD12 ' HB2' ' A' ' 34' ' ' ASN . 17.1 mt -140.29 157.31 68.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.98 68.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.73 20.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 160.58 49.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -64.72 156.69 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.75 -38.82 3.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -85.17 -57.92 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.63 93.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -66.42 -58.66 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.61 139.26 14.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 107' ' ' VAL . 38.9 p90 -54.95 114.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 61' ' ' ILE . 5.1 mp -57.36 123.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.9 p -89.37 -42.83 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.1 179.61 23.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 20.1 m-85 -126.55 147.05 49.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.952 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' HG13 ' A' ' 66' ' ' ILE . 23.3 tttt -102.15 152.47 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 65' ' ' LYS . 15.2 mt -139.99 135.4 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -121.83 122.2 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' C ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 p-80 -113.33 144.81 42.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 13.6 mtp180 -157.22 158.6 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 9.7 tttm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.19 162.94 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 m -158.69 141.86 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.6 pp -119.07 156.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -134.21 101.84 12.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.77 -12.62 33.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.228 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -59.53 -75.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -142.43 -175.03 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 64' ' ' TYR . 2.8 mt -87.65 38.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.428 ' O ' ' CE3' ' A' ' 86' ' ' TRP . 43.0 p-90 -151.89 134.54 15.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 1.8 t80 -123.5 115.0 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.463 HD23 ' HB2' ' A' ' 46' ' ' LYS . 2.8 tm? -95.96 104.37 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 58.1 m-85 -91.08 147.2 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.3 p -142.39 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 44.67 24.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 45' ' ' ILE . 60.8 mt -95.48 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -85.17 116.53 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -56.79 164.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.67 51.94 36.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -156.28 153.04 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 20.5 tt0 -95.09 155.97 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.527 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 61.8 m-85 -151.55 146.79 26.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.4 m -112.17 162.65 15.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -154.36 134.42 13.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.564 ' NE2' ' NE1' ' A' ' 116' ' ' TRP . 34.6 tt0 -137.12 119.79 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.54 HG11 ' CG ' ' A' ' 49' ' ' TRP . 98.6 t -97.79 145.58 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 m -138.92 163.79 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.05 111.65 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 80' ' ' LEU . 47.1 mtm -92.98 128.95 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -100.9 179.05 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 33.2 m -65.74 -11.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -96.52 -72.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -157.51 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -98.18 125.83 43.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.404 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -68.78 178.92 23.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.71 43.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.6 Cg_endo -69.84 150.82 68.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 73.8 p -97.97 177.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -44.02 147.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.564 ' NE1' ' NE2' ' A' ' 101' ' ' GLN . 44.8 m95 -90.08 99.63 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -85.52 140.98 30.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 m -117.1 148.63 41.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.778 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -132.52 157.77 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -126.85 133.68 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.4 p -85.43 135.16 39.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.518 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 115.14 3.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -40.97 -41.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.49 60.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 m -113.32 -27.1 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.34 125.86 75.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.31 42.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.2 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -114.7 168.07 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.5 t30 60.8 46.72 8.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.3 t -94.31 98.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -153.81 158.85 41.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 119' ' ' ALA . 62.5 mt -103.88 155.59 18.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -138.53 109.72 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' HD3' ' A' ' 122' ' ' PRO . 59.9 t -69.52 95.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 17.3 t -75.47 -52.15 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -149.5 177.07 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 p -62.19 -39.57 93.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.36 35.0 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -155.21 143.46 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.0 mt -146.63 141.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -112.05 130.61 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 100' ' ' PHE . 90.2 t -125.81 128.15 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -127.69 165.92 19.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 37.2 p90 -159.69 173.93 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -143.73 155.98 59.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 155.62 65.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.57 67.21 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.6 p -51.12 169.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.87 -48.26 3.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -76.7 -40.54 48.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -40.27 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.38 68.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.29 176.19 14.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.37 119.57 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.76 87.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.1 p -51.76 -57.05 10.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.97 -161.41 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 40.2 m-85 -133.18 127.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' CE ' ' A' ' 105' ' ' MET . 0.6 OUTLIER -79.61 122.86 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.534 HD11 ' CH2' ' A' ' 49' ' ' TRP . 6.3 mt -117.85 107.13 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -112.38 128.53 56.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -128.19 131.39 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -135.24 141.98 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.692 0.282 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -92.65 130.79 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -142.79 143.94 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.0 pp -135.64 139.98 44.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.3 tp10 -130.53 101.63 17.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.73 -37.81 8.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -37.84 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -117.46 174.48 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.5 mt -100.65 20.97 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -140.5 146.38 38.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.72 117.35 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 46' ' ' LYS . 5.3 tp -93.63 121.02 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -100.3 120.85 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -115.7 166.22 12.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.75 57.94 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.0 144.8 43.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -80.58 110.21 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -42.03 151.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.47 55.8 21.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -145.5 152.23 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.637 HE21 HG21 ' A' ' 118' ' ' THR . 38.1 tt0 -102.91 111.53 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.55 152.14 29.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 m -124.77 162.43 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.631 ' CD2' HG21 ' A' ' 47' ' ' VAL . 40.8 m-85 -143.27 169.25 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.55 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 34.3 tt0 -161.21 147.19 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.439 HG11 ' CB ' ' A' ' 49' ' ' TRP . 40.9 t -137.93 142.42 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.5 t -150.87 128.06 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.42 114.67 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.914 ' HB3' HG23 ' A' ' 110' ' ' THR . 11.8 ptp -112.58 144.98 41.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.8 p -116.17 -175.48 2.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.04 -22.06 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.33 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.25 -162.31 24.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HB3' ' A' ' 105' ' ' MET . 0.2 OUTLIER -104.85 116.89 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.121 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.63 -172.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 144.26 53.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.4 p -80.59 169.69 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -43.02 145.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.55 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 40.9 m95 -84.71 102.22 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -88.25 151.73 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.637 HG21 HE21 ' A' ' 97' ' ' GLN . 93.6 m -137.49 144.77 42.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 37' ' ' LEU . . . -140.83 138.86 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -104.66 131.55 51.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.5 p -78.17 143.28 64.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.538 0.685 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.577 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.76 121.74 8.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.91 -40.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.2 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.82 113.29 3.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m -76.97 -47.07 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' THR . . . -68.54 128.49 93.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.555 0.693 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.81 26.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.17 44.44 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.62 158.77 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.688 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 t-20 68.01 46.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.28 90.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 t -133.19 163.64 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 100' ' ' PHE . 56.5 mt -107.7 147.37 30.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -126.97 131.48 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -100.0 109.23 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.0 t -98.48 -44.55 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -148.93 -176.93 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.5 p -73.96 -39.03 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -112.01 30.54 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -153.43 131.26 11.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 121' ' ' THR . 70.5 mt -143.41 126.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.04 146.85 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.4 t -136.85 119.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -118.23 171.57 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.974 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.2 p90 -169.46 164.77 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 34' ' ' ASN . 84.2 mt -133.66 154.43 80.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.78 20.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.07 69.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' GLY . 30.8 t -50.62 -54.36 23.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.34 -68.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 30' ' ' ALA . 27.5 p -62.68 -47.22 84.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.314 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -38.13 99.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.67 35.92 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -177.47 38.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -103.13 105.25 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.65 131.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -117.18 -40.49 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.25 -162.2 12.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -144.92 154.54 42.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -117.04 124.14 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.974 HD11 ' CH2' ' A' ' 49' ' ' TRP . 11.1 mt -112.31 114.64 47.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 12.3 ttm105 -115.12 124.42 51.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -110.55 141.54 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.2 ttp180 -118.82 148.59 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 19.4 tptp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.731 0.3 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -90.66 127.38 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -143.79 132.11 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -124.65 142.37 51.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 4.0 tp10 -133.83 102.28 12.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.6 Cg_endo -69.79 -29.81 23.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -38.1 -65.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 57.4 m-80 -141.32 179.3 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 3.2 mt -91.64 29.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 62.2 p-90 -141.03 141.4 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.555 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.0 t80 -134.07 118.09 17.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -95.92 109.27 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 72.4 m-85 -92.88 144.58 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.0 p -139.29 159.93 41.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.06 56.11 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.6 mt -113.62 164.28 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.5 150.12 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.35 147.77 25.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.42 42.53 95.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.6 m -131.0 -175.68 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.563 ' NE2' HG21 ' A' ' 118' ' ' THR . 55.2 tt0 -122.58 145.17 48.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 70' ' ' LYS . 56.9 m-85 -144.25 131.03 20.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 m -100.13 157.16 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 37' ' ' LEU . 96.4 m-85 -152.1 158.18 42.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -153.69 167.79 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.8 t -138.37 139.23 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.1 p -138.23 133.39 33.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 119.51 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.4 ' HG3' HG23 ' A' ' 110' ' ' THR . 22.5 mtm -97.92 137.66 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.8 p -126.72 177.4 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -55.16 -17.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -88.28 -60.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.17 -126.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 105' ' ' MET . 4.3 m -132.01 144.72 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.5 -173.94 50.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.533 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.96 55.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.58 2.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASN . 98.3 p -49.55 161.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 81.5 m-20 -37.7 146.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -80.55 91.2 5.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 59.3 m-85 -79.72 146.26 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.563 HG21 ' NE2' ' A' ' 97' ' ' GLN . 18.5 m -134.23 149.54 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.46 131.96 20.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.86 126.97 38.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 45' ' ' ILE . 68.0 p -74.7 143.28 78.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 124.04 10.69 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.16 -41.05 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.77 157.64 59.68 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 t -112.82 -16.38 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.66 123.59 38.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 169.79 18.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.02 69.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -104.22 174.17 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.711 ' CB ' HD23 ' A' ' 50' ' ' LEU . 29.0 m-20 44.87 50.73 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 92.9 t -99.23 85.74 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 160.59 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 47' ' ' VAL . 8.7 mt -115.28 158.03 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' ILE . 21.7 tt0 -134.13 143.0 47.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG11 ' HD3' ' A' ' 122' ' ' PRO . 64.6 t -93.55 100.02 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.656 HG12 ' ND2' ' A' ' 41' ' ' ASN . 99.4 t -78.72 -46.28 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.656 ' ND2' HG12 ' A' ' 40' ' ' VAL . 75.6 m-20 -157.62 178.86 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -70.37 -15.91 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -129.56 10.65 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 m -140.66 140.13 34.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 38' ' ' GLU . 44.7 mt -141.34 129.67 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -91.65 135.48 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 37' ' ' LEU . 76.9 t -129.64 147.83 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -149.99 170.68 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.825 ' C ' HD22 ' A' ' 50' ' ' LEU . 44.0 p90 -168.65 162.7 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 49' ' ' TRP . 3.7 mm? -132.56 154.51 81.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.48 21.45 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.42 28.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -46.07 114.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.48 -9.02 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -125.79 5.24 7.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -107.08 43.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -37.79 -52.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.23 134.21 13.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.11 97.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.06 127.59 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -104.54 -43.68 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.54 -163.88 13.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.679 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 1.2 m-85 -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.981 0.42 . . . . 0.0 110.881 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.87 122.73 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.81 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.7 mt -110.15 119.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -120.82 142.26 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -138.46 154.63 48.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -145.91 148.56 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.3 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -136.29 132.51 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.1 m -151.5 140.25 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' A' ' 105' ' ' MET . 4.4 pp -124.41 152.16 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -136.16 104.67 9.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.03 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -42.9 -70.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -140.24 174.33 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.679 HD22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -85.85 26.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -139.1 143.28 38.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 2.5 t80 -134.39 108.54 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.452 HD13 HG23 ' A' ' 90' ' ' THR . 2.0 tm? -88.71 104.86 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 56.9 m-85 -85.99 145.08 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 88' ' ' LEU . 68.9 p -142.39 157.93 44.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.5 45.9 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.17 175.92 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.16 151.77 21.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -91.04 164.03 14.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.01 38.59 89.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -131.99 172.93 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -122.27 112.19 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -113.37 157.01 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -132.88 164.08 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.504 ' HB2' HD21 ' A' ' 37' ' ' LEU . 93.0 m-85 -144.28 166.53 24.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.596 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 8.9 tt0 -156.09 139.58 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 49' ' ' TRP . 77.5 t -122.9 136.67 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.91 140.06 46.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.09 115.7 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.719 ' CG ' HG23 ' A' ' 110' ' ' THR . 34.7 mtm -92.64 140.62 29.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.3 p -123.66 159.21 29.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -44.59 -23.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -88.45 -72.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.45 -178.58 22.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.719 HG23 ' CG ' ' A' ' 105' ' ' MET . 1.2 m -76.94 156.91 31.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.132 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -94.34 -176.83 38.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.1 52.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.8 Cg_endo -69.75 115.1 3.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -61.15 166.2 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.411 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 6.4 t-20 -42.1 161.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.596 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 63.1 m95 -101.79 92.58 4.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.432 ' O ' HD11 ' A' ' 37' ' ' LEU . 68.8 m-85 -81.34 119.54 23.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 m -97.47 136.53 37.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -123.93 130.69 53.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.91 126.4 44.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.6 p -78.42 146.74 70.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.84 108.17 2.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -39.93 -38.04 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.653 0.739 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.77 174.01 10.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -129.96 -3.29 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 131.42 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 164.84 33.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.76 26.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -119.14 162.22 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.562 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.8 t-20 67.83 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -86.88 91.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -135.34 168.11 19.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.59 147.85 43.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -133.02 131.75 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.41 HG11 ' HD3' ' A' ' 122' ' ' PRO . 87.5 t -87.85 100.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.663 HG12 ' ND2' ' A' ' 41' ' ' ASN . 95.1 t -79.23 -44.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.663 ' ND2' HG12 ' A' ' 40' ' ' VAL . 73.5 m-80 -152.93 -177.18 6.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 p -70.71 -25.01 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -125.88 16.96 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -140.46 132.09 27.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.84 133.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.36 141.2 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -141.44 132.14 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -130.21 -178.7 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.851 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.4 p90 -171.6 171.27 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 34' ' ' ASN . 47.7 mt -141.35 156.13 67.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 156.69 62.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 139.64 41.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.6 p -45.08 168.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -55.34 4.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 p -70.3 -41.13 73.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 73.7 mt-30 -37.56 135.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.26 -52.55 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.26 155.31 21.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.96 111.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 20.9 mt -55.02 106.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.4 p -84.33 -35.83 22.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -162.29 -169.15 25.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 2.6 m-85 -137.95 136.87 37.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -94.71 116.46 28.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.851 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.7 mt -107.13 116.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -111.3 130.62 55.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 100' ' ' PHE . 26.5 p80 -134.15 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.15 164.66 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.6 mmm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.88 126.24 35.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 m -142.77 138.82 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' HE3' ' A' ' 105' ' ' MET . 4.5 pp -125.34 151.86 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -133.36 101.67 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HD3' HD12 ' A' ' 80' ' ' LEU . 54.0 Cg_endo -69.77 -27.69 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -45.73 -69.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -132.0 -179.2 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 12.9 mt -89.93 27.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 41.6 p-90 -145.94 158.01 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -135.86 117.05 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.91 104.68 16.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 p -144.18 145.74 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.25 57.4 1.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.89 172.69 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -98.05 131.27 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -71.09 143.09 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.36 38.18 80.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -131.07 166.74 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -113.35 130.96 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -134.99 145.35 48.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 p -122.31 156.72 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 94.3 m-85 -137.51 178.55 7.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -162.36 156.81 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 49' ' ' TRP . 46.2 t -135.46 142.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -145.39 136.61 24.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.74 104.1 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.687 ' HG2' HG23 ' A' ' 110' ' ' THR . 48.6 mtm -88.57 121.42 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 159.0 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -45.56 -21.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -76.29 -45.45 32.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.48 -122.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' HG2' ' A' ' 105' ' ' MET . 25.5 m -130.11 119.52 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.473 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -62.23 -178.27 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 148.28 64.23 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 144.4 54.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -88.8 177.9 6.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 34.2 m120 -56.81 155.49 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -94.29 91.33 6.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 115' ' ' ASN . 95.8 m-85 -84.01 140.94 31.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.7 m -119.45 148.1 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.8 130.13 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -96.82 134.12 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -83.81 143.71 43.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.76 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -40.41 -42.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 54.2 Cg_endo -69.79 170.62 16.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -128.99 11.04 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.15 122.04 19.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 166.28 28.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.76 153.1 69.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.758 2.306 . . . . 0.0 112.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.26 170.4 9.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HB3' HD23 ' A' ' 50' ' ' LEU . 11.0 t-20 48.02 48.55 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' PRO . 48.8 t -95.05 95.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -140.53 169.41 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 47' ' ' VAL . 87.5 mt -116.32 159.15 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -148.98 119.85 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.939 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.9 t -90.81 110.47 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.8 -44.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.08 163.28 32.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -58.97 -24.67 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 25.16 6.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -147.78 123.09 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.449 HD11 HG22 ' A' ' 121' ' ' THR . 53.1 mt -134.59 133.07 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.6 tttp -103.12 147.79 26.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 37' ' ' LEU . 85.3 t -134.28 122.45 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.4 m -118.74 159.33 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 66' ' ' ILE . 44.8 p90 -156.16 141.72 17.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.6 mm? -109.22 158.75 33.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.19 68.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 54.2 Cg_endo -69.74 168.91 20.16 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 t -43.71 140.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.47 -61.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ASN . 16.4 p -55.13 -52.48 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.189 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 81.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.0 t30 -76.95 58.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.77 43.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.21 108.14 20.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.59 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 79.3 mt -64.36 77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -26.43 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.11 -160.14 23.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 39.1 m-85 -142.07 154.97 45.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -114.12 145.17 42.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.069 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.4 mt -126.02 104.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB3' ' CG ' ' A' ' 101' ' ' GLN . 3.8 tpp85 -91.94 120.34 32.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 7.6 p-80 -125.08 165.5 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -162.38 166.45 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 19.3 tptm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.512 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.1 mmt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.76 0.315 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.21 147.96 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.4 m -157.04 135.39 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 80' ' ' LEU . 4.3 pp -135.61 144.78 46.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.58 101.63 11.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.74 -29.82 23.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -39.1 -64.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -135.84 -175.69 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 64' ' ' TYR . 6.5 mt -97.26 24.2 6.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 61.3 p-90 -141.34 141.62 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -133.19 132.11 41.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.53 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.5 tm? -112.03 111.08 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -90.14 148.03 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.481 HG23 ' CD1' ' A' ' 88' ' ' LEU . 76.6 p -145.04 136.78 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.88 36.87 1.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.78 172.93 7.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.58 139.37 32.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -74.59 143.8 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.6 47.95 78.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 m -143.61 167.83 21.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 24.6 tt0 -106.84 158.83 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 32.5 m-85 -153.73 140.52 19.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.8 m -107.69 148.07 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -147.21 167.35 24.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.475 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 1.7 pt20 -165.85 170.54 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 49' ' ' TRP . 63.8 t -136.79 138.22 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 m -135.19 125.45 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.33 110.36 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.424 ' HE2' ' C ' ' A' ' 64' ' ' TYR . 16.2 mtm -86.0 124.09 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ASN . 18.8 p -108.08 156.52 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -39.39 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' THR . 70.2 m-80 -81.1 -68.33 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.0 -176.71 36.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.99 139.9 58.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.41 -164.85 40.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.79 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.6 p -48.47 170.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.09 144.37 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.475 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 76.0 m95 -76.41 92.09 3.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -82.06 132.73 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 98' ' ' TYR . 49.7 m -111.75 142.44 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.29 140.3 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -104.44 128.29 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.449 HG22 HD11 ' A' ' 45' ' ' ILE . 68.8 p -82.73 140.43 43.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.939 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.8 120.13 6.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.3 -32.78 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 m -150.85 167.22 28.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -94.99 97.53 10.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.95 93.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -147.9 156.88 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -132.23 115.03 15.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.84 159.39 3.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -106.09 171.99 7.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.34 165.24 24.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -52.88 156.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.54 147.11 16.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.06 2.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.29 103.69 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.51 170.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 111.099 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.8 p -165.87 136.54 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -171.65 159.25 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -157.5 106.75 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -98.47 162.93 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.5 mm -91.57 132.59 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.7 p -101.66 158.88 15.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 p -67.89 114.3 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.1 p -121.79 31.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.0 t -78.84 142.81 36.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.4 mt -90.48 145.15 25.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -120.41 148.15 44.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' OD1' ' ND2' ' A' ' 58' ' ' ASN . 1.9 m-20 -114.3 16.54 17.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.8 m -67.91 152.02 96.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.621 0.724 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 162.68 41.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -125.83 40.78 3.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.18 141.06 1.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.698 . . . . 0.0 111.057 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 167.98 22.85 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.4 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.6 Cg_endo -69.74 173.0 11.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.276 . . . . 0.0 112.317 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -120.29 168.77 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.551 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.2 m120 54.89 42.28 31.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 32' ' ' PRO . 95.6 t -96.68 93.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.3 m -131.39 169.99 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.31 149.09 43.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.98 110.65 4.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.786 HG11 ' HD3' ' A' ' 122' ' ' PRO . 90.3 t -79.19 112.69 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.511 HG12 ' OD1' ' A' ' 41' ' ' ASN . 20.1 t -84.73 -44.86 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -138.04 -179.91 6.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -67.16 -38.3 85.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -119.25 34.85 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.0 m -152.53 133.02 13.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.6 mt -146.13 133.42 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' CA ' HD12 ' A' ' 88' ' ' LEU . 28.0 tttt -105.48 123.5 47.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -108.08 122.23 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 p -109.3 166.26 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.565 ' HB3' HG21 ' A' ' 102' ' ' VAL . 34.0 p90 -174.61 171.1 3.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' CG ' ' A' ' 34' ' ' ASN . 47.9 mt -144.28 156.64 57.5 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.607 0.717 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.01 36.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.45 63.33 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.1 p -75.47 58.52 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.04 -36.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 p -87.8 -51.58 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.59 132.31 46.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 26' ' ' ASP . 6.5 t30 -95.22 -50.69 4.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.46 146.7 23.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CE1' HG11 ' A' ' 107' ' ' VAL . 13.8 p90 -61.69 105.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' PHE . 22.5 mm -35.38 121.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.3 p -95.88 -46.4 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -153.02 -159.88 9.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 11.5 m-85 -147.97 144.02 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -98.99 141.54 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -131.37 127.55 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -128.85 114.17 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 25.3 p80 -102.9 148.54 25.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 56.1 mtp180 -125.0 147.92 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 98' ' ' TYR . 1.2 tmtp? -119.05 145.71 45.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.446 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 1.8 t -73.4 65.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 73' ' ' ARG . 7.2 m -159.83 167.69 27.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.552 ' N ' HG22 ' A' ' 72' ' ' THR . 78.4 mtm180 -36.25 146.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -34.41 137.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.29 44.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -65.74 -176.03 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.567 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 51.1 mtp -158.7 128.26 5.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -99.52 146.78 26.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.3 m -160.87 148.69 15.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 pp -137.91 146.06 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.7 tt0 -134.15 101.58 12.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.76 -22.24 32.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -48.01 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -126.4 -179.72 4.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.616 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 1.9 mt -98.2 42.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -155.24 140.33 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.4 120.23 15.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 46' ' ' LYS . 5.4 tp -96.58 119.71 35.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -100.65 114.09 27.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.3 p -117.72 140.48 49.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.82 10.42 6.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 98' ' ' TYR . 17.8 mt -75.34 -175.54 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -112.9 -178.87 3.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -94.52 161.93 14.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.06 42.38 5.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 p -119.01 179.64 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -137.45 126.8 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 60.0 m-85 -129.04 146.07 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -125.32 149.6 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -134.61 174.08 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.48 ' OE1' ' CZ2' ' A' ' 116' ' ' TRP . 7.3 pt20 -163.94 134.11 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 49' ' ' TRP . 92.2 t -107.4 141.4 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -136.44 129.25 30.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.42 133.76 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.402 ' HE3' ' C ' ' A' ' 64' ' ' TYR . 22.1 mtm -115.75 126.56 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.3 p -110.24 -178.05 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.479 HG11 ' CE1' ' A' ' 60' ' ' PHE . 18.2 m -64.15 -22.89 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.122 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.52 -63.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.58 -159.07 11.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -85.13 141.8 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.26 176.89 40.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.62 26.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.33 14.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.9 p -111.48 -179.25 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -47.38 147.18 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CH2' ' HD2' ' A' ' 69' ' ' ARG . 46.2 m95 -82.1 91.83 6.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -76.38 126.82 31.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.5 m -108.89 150.73 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.1 140.88 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -111.3 145.93 37.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.0 p -86.0 148.69 48.65 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.786 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.362 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.3 mt-10 -35.66 -43.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -64.27 175.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.824 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -97.53 155.99 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.88 -71.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -132.33 175.87 8.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -154.84 177.82 10.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.23 111.83 1.04 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -173.25 130.7 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 1.3 mpp_? -81.67 158.64 24.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 9.7 m-85 -162.93 168.11 21.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.87 154.99 16.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.78 52.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.745 2.297 . . . . 0.0 112.389 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.38 -137.23 3.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.08 142.52 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.5 p -99.72 173.31 6.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 17' ' ' ASP . 30.7 m -134.07 158.93 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' N ' HG22 ' A' ' 16' ' ' THR . 9.0 p-10 -107.53 151.5 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -123.67 179.7 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.4 pp -129.67 142.08 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 p -149.3 142.5 25.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.91 98.5 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 22' ' ' VAL . 5.5 p -95.15 33.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.2 m -80.34 141.22 35.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 25' ' ' SER . 1.7 tp -125.02 127.68 47.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.52 ' N ' HD12 ' A' ' 24' ' ' LEU . 18.2 p -163.96 176.62 9.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.45 0.69 9.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -41.55 151.63 0.3 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.629 0.728 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.74 158.34 57.32 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.4 m -109.5 8.95 25.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.08 139.4 15.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 111.079 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.61 21.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.26 . . . . 0.0 112.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -163.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -132.18 162.64 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.659 ' HB2' HD12 ' A' ' 50' ' ' LEU . 54.5 t-20 59.15 50.94 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.76 93.32 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.4 p -149.43 163.8 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 100' ' ' PHE . 15.3 mt -107.14 153.8 22.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -135.89 120.48 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.736 HG11 ' HD3' ' A' ' 122' ' ' PRO . 60.0 t -88.32 95.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.4 t -75.57 -35.88 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -159.23 -175.18 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -73.94 -20.07 60.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 4.7 ptp180 -130.82 25.11 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -149.19 131.59 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 63.2 mt -138.52 122.56 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HE3' ' CE3' ' A' ' 86' ' ' TRP . 16.7 tptm -90.33 143.77 26.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.7 t -136.33 140.51 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 p -139.85 171.64 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.861 ' CH2' HD11 ' A' ' 66' ' ' ILE . 42.1 p90 -167.23 173.27 9.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 34' ' ' ASN . 8.3 mt -144.07 158.48 55.32 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.236 . . . . 0.0 112.361 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.94 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.38 67.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.2 p -51.2 165.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.32 -59.31 4.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.6 p -64.39 -30.42 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -53.32 116.4 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.01 -26.59 19.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.6 151.72 22.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -53.58 116.22 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.552 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 2.3 mp -57.88 102.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -66.62 -33.9 76.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.89 -152.25 7.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.466 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.552 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 89.4 m-85 -150.12 156.6 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.94 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HD2' HG21 ' A' ' 110' ' ' THR . 17.3 ttmm -126.28 128.41 47.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.861 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.1 mt -110.1 118.23 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -103.97 123.52 47.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -139.05 143.76 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -156.72 149.13 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.2 tttt -84.81 154.53 22.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 71' ' ' THR . 9.1 t -74.2 70.8 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 73' ' ' ARG . 26.4 m -131.69 163.79 27.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.554 ' N ' HG22 ' A' ' 72' ' ' THR . 8.3 mpt_? -34.9 -52.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 ptt85 -163.53 138.87 6.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.78 93.32 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -129.43 139.11 51.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 37.7 ttp -122.1 161.84 22.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -118.2 146.33 44.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.2 m -156.78 132.23 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.1 pp -135.34 141.9 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.422 ' CD ' ' HB2' ' A' ' 83' ' ' ASN . 3.8 tp10 -134.87 101.57 11.54 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.73 -32.04 19.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.422 ' HB2' ' CD ' ' A' ' 81' ' ' GLU . 11.3 m-80 -44.02 -69.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -120.78 168.61 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -92.28 28.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.44 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 49.5 p-90 -145.65 139.0 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.405 ' HB3' HD13 ' A' ' 66' ' ' ILE . 12.6 t80 -137.37 122.61 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -101.04 136.84 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -110.78 128.68 55.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.0 p -123.46 155.79 36.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.25 36.58 5.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.4 mt -99.46 164.15 12.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -84.43 163.32 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -86.31 157.72 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 43.38 51.41 6.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -130.68 166.56 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -111.31 151.27 28.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 118' ' ' THR . 77.5 m-85 -152.55 158.73 42.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 m -130.53 158.54 39.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.672 ' HB2' HD21 ' A' ' 37' ' ' LEU . 82.8 m-85 -148.83 168.85 21.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.574 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 18.0 tt0 -163.62 160.08 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.63 134.57 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -133.1 121.45 22.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.08 116.51 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.5 mtm -87.64 131.92 34.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 p -119.19 -177.34 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.93 -14.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.55 -65.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.73 -163.78 23.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 65' ' ' LYS . 12.4 p -68.53 152.4 45.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.442 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -84.66 -162.25 34.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 139.24 39.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.367 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 112.48 3.08 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.749 2.3 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.1 p -73.62 158.68 34.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -41.33 131.84 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.574 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 49.7 m95 -74.4 104.45 5.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -85.76 158.23 20.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 98' ' ' TYR . 4.8 m -137.83 150.77 47.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.38 143.35 32.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -109.79 140.41 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.7 p -84.91 143.68 40.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.61 0.719 . . . . 0.0 111.147 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.736 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.73 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -42.49 -37.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 m -155.67 157.08 36.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.901 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -170.31 175.79 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.47 146.4 4.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -172.76 141.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.886 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 m -163.26 169.34 19.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.68 147.46 5.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 1.4 p-10 -173.06 113.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -138.72 107.57 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -153.63 161.92 41.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.21 85.89 0.17 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.32 56.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.39 78.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -173.26 125.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.6 p -126.7 42.49 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -122.95 45.09 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -133.55 163.92 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.0 mt -85.63 139.93 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t -149.2 155.25 40.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.75 148.07 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.7 p -130.47 46.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -98.82 112.19 24.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -110.15 114.28 27.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.93 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 m -146.7 152.75 39.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.31 27.17 4.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 m -87.41 151.37 50.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.568 0.699 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CD ' ' A' ' 112' ' ' PRO . 54.1 Cg_endo -69.71 167.56 24.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.3 m -121.78 -23.33 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.46 140.51 21.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.79 18.07 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 178.78 4.27 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -118.49 167.99 11.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.612 ' ND2' HD12 ' A' ' 50' ' ' LEU . 11.9 m-80 48.7 53.76 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.6 t -98.08 88.25 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 t -128.76 166.38 19.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 100' ' ' PHE . 29.9 mt -132.55 124.12 27.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -113.85 129.27 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG11 ' HD3' ' A' ' 122' ' ' PRO . 92.4 t -86.62 99.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.14 -48.8 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -142.98 -176.43 4.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.9 t -74.18 -15.08 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -126.9 -3.84 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -122.77 149.07 44.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.1 mt -147.09 132.68 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 88' ' ' LEU . 32.9 tptt -95.05 124.77 39.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.3 t -113.45 128.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -136.76 164.29 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.808 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.2 p90 -163.1 -178.62 6.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.612 HD12 ' ND2' ' A' ' 34' ' ' ASN . 30.3 mt -153.72 156.07 31.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.59 45.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.96 17.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.77 46.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.7 m -51.16 130.1 25.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.41 -39.33 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 p -76.6 -42.11 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.44 148.0 37.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.88 -31.76 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.701 ' O ' HG22 ' A' ' 106' ' ' THR . . . -112.32 120.06 5.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . 23.6 p90 -36.15 118.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.835 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.8 mp -59.22 102.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.2 p -68.04 -45.02 75.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.83 -160.0 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.46 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.639 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.0 m-85 -142.08 137.81 31.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.933 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -95.51 125.12 39.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.808 HD11 ' CH2' ' A' ' 49' ' ' TRP . 9.4 mt -116.88 107.7 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mtm180 -109.89 131.2 55.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -130.46 153.41 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -148.93 148.65 30.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -83.36 167.88 17.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -10.4 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.6 t -98.57 20.0 13.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.44 42.63 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.5 171.59 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -44.93 104.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -59.15 124.96 21.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.867 0.365 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' HG3' ' A' ' 78' ' ' GLU . 18.1 mmm -95.74 176.91 5.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HG3' ' C ' ' A' ' 77' ' ' MET . 13.5 mt-10 -145.28 113.64 6.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.443 HG21 ' CE2' ' A' ' 87' ' ' TYR . 7.6 m -123.71 136.91 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.5 pp -138.27 128.3 25.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.6 tt0 -131.78 101.55 15.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.626 0.726 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.9 Cg_endo -69.75 -33.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.372 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -39.76 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 27.7 m120 -118.68 155.9 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 4.3 mt -83.8 36.15 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 69.1 p-90 -157.74 146.97 19.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.9 t80 -135.1 110.07 8.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 46' ' ' LYS . 0.6 OUTLIER -83.08 115.43 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.938 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.483 ' N ' HD13 ' A' ' 88' ' ' LEU . 57.8 m-85 -98.96 144.26 28.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.8 p -141.49 159.79 41.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.27 50.35 5.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.95 161.56 16.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -71.03 135.39 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -74.13 148.12 42.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 54.87 37.36 61.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.9 m -123.59 151.12 43.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -88.9 155.61 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -156.16 164.16 38.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.4 m -131.96 158.48 41.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.432 ' HB2' HD11 ' A' ' 37' ' ' LEU . 91.3 m-85 -144.49 168.77 19.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.431 ' OE1' ' NE1' ' A' ' 116' ' ' TRP . 23.2 tt0 -156.62 140.7 16.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.763 HG11 ' CB ' ' A' ' 49' ' ' TRP . 58.4 t -127.82 133.04 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 26.9 t -135.99 148.7 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.96 111.32 23.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.4 mtm -86.57 127.35 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 59' ' ' GLY . 18.5 p -108.36 -176.41 3.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.26 -16.71 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -89.96 -69.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.4 -155.46 7.59 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.2 m -84.81 125.62 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -66.03 -167.15 2.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.47 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 53.5 Cg_endo -69.74 132.76 24.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.99 2.69 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t -53.64 149.87 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.6 m120 -42.91 126.64 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.431 ' NE1' ' OE1' ' A' ' 101' ' ' GLN . 50.5 m95 -62.11 103.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.518 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 78.5 m-85 -84.32 163.98 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.6 m -132.23 124.88 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -116.47 133.12 56.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -108.72 136.85 47.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.8 p -88.31 143.63 32.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.772 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.72 110.22 2.49 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' PRO . 38.1 mt-10 -35.92 -41.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -157.58 175.52 13.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -163.46 176.94 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.6 145.67 5.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.428 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -172.7 166.43 5.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -171.07 179.97 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.14 174.32 42.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -143.37 114.99 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -85.23 137.9 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -172.79 142.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.26 84.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 161.91 16.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 15' ' ' SER . 77.9 t -143.28 155.57 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 111.168 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.456 ' N ' HG12 ' A' ' 14' ' ' VAL . 1.2 t -134.03 157.67 45.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -164.01 127.07 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -144.39 154.44 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -112.11 -179.48 3.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.66 153.55 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.6 p -124.6 171.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.7 t -112.93 91.9 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.1 m -111.04 52.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 23' ' ' THR . 5.2 m -92.63 23.97 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.4 mt 42.42 44.87 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -65.0 147.41 53.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' CB ' ' CG ' ' A' ' 108' ' ' ASN . 3.1 m-20 -66.3 -45.37 80.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' ASP . 14.9 m -34.71 151.29 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.578 0.704 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 54.1 Cg_endo -69.67 164.45 34.42 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.366 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 t -125.83 27.16 6.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.45 142.83 13.19 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 169.81 18.13 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -163.99 0.12 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.755 2.303 . . . . 0.0 112.379 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -133.88 160.91 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.823 ' HB2' HD12 ' A' ' 50' ' ' LEU . 40.4 t30 54.96 48.67 19.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.22 85.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -130.79 165.13 23.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 47' ' ' VAL . 44.7 mt -125.8 129.06 48.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -110.99 130.98 55.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG11 ' HD3' ' A' ' 122' ' ' PRO . 57.8 t -78.73 108.9 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.798 HG21 ' CD2' ' A' ' 88' ' ' LEU . 10.6 t -79.91 -42.04 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 61.2 m-20 -167.06 -178.5 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -58.14 -29.46 65.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -129.09 35.32 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.2 m -153.85 139.49 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -143.75 127.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -90.52 122.82 33.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 37' ' ' LEU . 60.4 t -108.16 131.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 79.0 p -127.36 159.6 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.796 ' CH2' HD11 ' A' ' 66' ' ' ILE . 23.8 p90 -168.4 158.86 10.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.823 HD12 ' HB2' ' A' ' 34' ' ' ASN . 21.6 mt -130.81 157.8 76.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 154.99 67.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 168.38 21.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.25 42.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -46.57 -45.19 18.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.56 -62.84 2.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -65.08 -41.41 95.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 111.141 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -45.47 123.05 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.69 -24.16 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.54 167.89 19.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -76.07 120.9 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.56 142.08 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -120.22 -41.52 2.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.78 -169.89 34.36 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 34.1 m-85 -130.86 145.79 52.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -102.17 121.76 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.796 HD11 ' CH2' ' A' ' 49' ' ' TRP . 7.1 mt -113.86 111.58 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -119.38 138.79 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 77' ' ' MET . 9.8 p-80 -125.79 160.29 30.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.822 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -152.33 156.29 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 23.0 tptp -107.47 130.4 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -56.62 -33.89 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -82.11 -73.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -70.04 143.61 52.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -93.9 59.2 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.52 131.58 7.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -113.83 164.76 13.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.411 ' HB3' ' CE1' ' A' ' 68' ' ' HIS . 46.3 tpp -164.65 118.27 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -97.02 152.3 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.1 m -160.13 127.91 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.438 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.5 pp -112.94 146.12 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.4 tp10 -134.18 101.54 12.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.628 0.728 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.73 -24.03 30.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -48.24 -73.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 45.1 m-80 -124.72 -177.15 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 15.7 mt -95.39 17.86 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.546 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.5 p-90 -133.04 157.9 44.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -143.82 118.75 9.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.798 ' CD2' HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -98.42 109.79 22.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.516 ' N ' HD13 ' A' ' 88' ' ' LEU . 92.0 m-85 -90.65 148.27 22.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.424 HG23 ' CD1' ' A' ' 88' ' ' LEU . 74.3 p -146.1 137.36 24.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.68 28.08 4.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 177.07 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.765 0.317 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.67 147.93 22.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -82.29 151.29 26.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.59 66.15 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -154.99 171.39 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.19 134.13 52.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 30.7 m-85 -131.03 156.02 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 1.5 t -127.39 151.21 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 99' ' ' SER . 6.8 m-85 -141.47 168.41 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.608 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 6.4 tt0 -155.3 135.15 12.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.618 HG11 ' CB ' ' A' ' 49' ' ' TRP . 25.3 t -121.05 131.68 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 m -125.35 168.72 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.88 112.63 18.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.783 ' HG3' HG23 ' A' ' 110' ' ' THR . 3.1 mpp? -95.61 140.87 29.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 p -115.96 179.93 3.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.16 -16.7 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.503 ' CG ' ' CB ' ' A' ' 26' ' ' ASP . 4.8 m-80 -91.96 -69.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.25 -170.11 21.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 105' ' ' MET . 14.2 m -79.72 138.45 37.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.428 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -79.99 -176.64 49.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 146.41 59.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.74 46.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -89.97 155.17 19.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -38.37 141.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.608 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 69.1 m95 -81.76 95.24 7.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.92 125.43 29.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.1 m -103.0 128.78 49.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.5 142.61 51.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -107.0 151.84 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.6 p -102.39 144.07 27.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.71 133.23 25.15 Favored 'Trans proline' 0 N--CA 1.466 -0.124 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.92 -29.52 60.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -148.49 178.14 8.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -112.59 -49.67 2.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.84 119.04 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -174.54 133.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -174.73 167.59 3.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 97.3 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -173.8 161.85 3.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -153.88 147.68 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CD2' ' HD3' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -160.2 165.19 32.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -136.57 86.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.492 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 53.7 Cg_endo -69.83 -40.58 5.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.64 157.6 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 14' ' ' VAL . 7.5 p -172.02 116.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 0.0 111.144 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.5 p -67.61 176.09 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -159.28 137.96 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -162.29 159.77 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.96 -178.88 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 19' ' ' ILE . 16.2 mt -127.15 39.8 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.4 t -67.2 160.98 25.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.01 142.97 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 22' ' ' VAL . 22.3 t -107.77 46.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.8 m -103.95 134.15 47.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.54 149.46 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.2 m -151.05 178.77 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.3 70.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.7 158.58 42.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 0.0 111.144 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.7 Cg_endo -69.76 146.28 59.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -115.09 -29.46 6.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.41 120.71 76.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.591 0.71 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 165.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.7 20.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.1 174.99 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.7 t30 51.45 38.41 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -87.76 87.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 m -137.25 162.95 32.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 100' ' ' PHE . 61.0 mt -114.18 136.24 53.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -121.39 144.6 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.599 HG11 ' HD3' ' A' ' 122' ' ' PRO . 72.1 t -103.38 127.07 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.56 -36.98 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -144.11 -178.95 6.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 m -76.44 -20.48 57.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -131.05 3.67 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.93 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.586 HD12 HD13 ' A' ' 92' ' ' LEU . 62.1 mt -138.24 131.66 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -98.42 147.98 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -135.13 126.72 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.2 p -121.14 162.41 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.902 ' CH2' HD11 ' A' ' 66' ' ' ILE . 45.6 p90 -161.02 157.81 26.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -131.58 155.39 81.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.14 64.29 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.382 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.49 34.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 149.44 66.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -56.02 168.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.75 -46.24 3.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.4 p -85.94 -26.17 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -55.52 124.73 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -113.26 57.51 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.12 176.65 14.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -92.88 102.98 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.8 mp -54.1 106.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 65.2 p -87.54 -50.02 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -137.4 -153.71 6.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.665 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.0 m-85 -152.39 147.25 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.42 . . . . 0.0 110.913 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -108.08 110.76 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.902 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.5 mt -98.92 106.32 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -98.36 125.77 43.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -136.52 171.0 15.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -170.91 163.73 7.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -116.82 156.09 27.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.4 t -81.6 -175.52 5.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.3 p 38.62 38.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.26 154.38 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.34 136.51 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 133.36 56.34 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' ' 77' ' ' MET . 11.6 tm-20 -46.57 156.66 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.402 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 5.5 ttt -145.27 162.44 37.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -146.1 161.62 39.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 80' ' ' LEU . 96.4 m -156.25 152.85 28.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -129.19 140.49 51.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.5 tp10 -134.68 101.77 11.68 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.3 Cg_endo -69.78 -29.35 23.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 12.5 m-80 -36.61 -64.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -146.96 174.4 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 9.0 mt -84.46 35.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 -149.84 140.45 22.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -137.14 119.87 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.2 tm? -94.79 103.28 15.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -82.14 147.23 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.6 p -144.27 152.29 40.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.38 47.41 3.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD13 HD12 ' A' ' 45' ' ' ILE . 11.1 mt -108.48 138.94 43.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.97 146.08 48.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.58 148.39 42.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 48.27 72.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.6 m -158.83 155.14 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.424 HE21 HG22 ' A' ' 118' ' ' THR . 8.0 tp60 -86.86 140.54 29.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -139.57 131.62 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -104.99 155.67 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 37' ' ' LEU . 48.8 m-85 -145.44 175.49 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -169.11 165.4 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.891 HG11 ' CB ' ' A' ' 49' ' ' TRP . 43.0 t -149.39 135.43 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.9 t -135.83 142.47 44.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.73 111.77 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 17.1 mtm -89.18 133.66 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.8 p -114.81 165.46 12.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.1 p -49.46 -18.57 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -90.72 -75.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.86 -162.45 10.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.2 m -95.86 141.14 29.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.77 -165.68 39.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 148.47 65.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 126.82 13.77 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.4 t -69.6 154.2 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 5.3 m120 -37.48 130.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -73.34 108.22 6.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 92.1 m-85 -96.38 158.72 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.424 HG22 HE21 ' A' ' 97' ' ' GLN . 53.2 m -137.89 140.43 40.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.75 142.74 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 10.6 mt-10 -105.52 128.13 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.3 p -78.93 140.04 57.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.133 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.599 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.4 Cg_endo -69.71 109.67 2.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.642 2.228 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 122' ' ' PRO . 24.1 mm-40 -36.36 -40.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 55.7 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.924 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -162.72 157.55 21.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -175.01 169.63 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.825 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.53 163.71 27.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -174.65 160.96 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -170.11 179.06 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.36 -151.33 5.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -153.59 172.37 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -167.59 144.53 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -127.33 172.21 10.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.92 143.68 9.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -169.71 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.58 130.38 4.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 m -91.8 170.0 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -121.37 -176.93 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -147.73 168.49 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.098 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -119.76 172.39 7.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -140.69 154.41 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.7 pt -46.99 141.86 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 34.8 p -135.83 114.75 12.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG13 ' H ' ' A' ' 23' ' ' THR . 11.3 p -84.22 159.34 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 22' ' ' VAL . 14.4 t -72.0 1.47 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.586 ' H ' HG13 ' A' ' 21' ' ' VAL . 2.6 m -98.94 26.95 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD12 ' H ' ' A' ' 25' ' ' SER . 1.4 tp -114.76 151.59 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.742 ' H ' HD12 ' A' ' 24' ' ' LEU . 43.4 m 61.43 53.69 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 108' ' ' ASN . 14.4 m-20 -79.9 51.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.34 158.02 54.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.609 0.719 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.82 55.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -125.1 34.31 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.25 139.3 17.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 162.84 40.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.647 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.5 Cg_endo -69.79 179.34 3.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -122.69 158.85 29.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.674 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.6 t-20 57.63 40.23 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG21 ' HG2' ' A' ' 32' ' ' PRO . 77.0 t -84.19 99.92 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.9 t -139.24 158.31 44.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.52 131.95 54.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 45' ' ' ILE . 3.9 mm-40 -108.6 161.97 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG11 ' HD3' ' A' ' 122' ' ' PRO . 88.5 t -112.92 95.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.742 HG12 ' ND2' ' A' ' 41' ' ' ASN . 44.3 t -68.77 -47.46 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.742 ' ND2' HG12 ' A' ' 40' ' ' VAL . 60.9 m-80 -160.88 -175.49 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -66.14 -39.28 89.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -113.97 29.15 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.9 m -150.85 145.83 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 38' ' ' GLU . 70.5 mt -149.54 142.25 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -108.48 128.96 55.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -122.2 126.67 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.8 p -128.54 172.94 10.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.711 ' CB ' HG11 ' A' ' 102' ' ' VAL . 46.2 p90 -168.86 155.15 6.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.9 mm? -117.82 158.81 44.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 149.45 66.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.32 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.96 17.73 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.51 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -38.98 -53.56 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -41.05 -72.62 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 p -61.84 -19.58 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.148 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -90.1 96.68 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -114.44 33.16 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.36 148.74 18.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -69.81 109.13 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 105' ' ' MET . 64.2 mt -70.41 119.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.9 p -92.45 -39.18 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.6 -159.34 9.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 32.4 m-85 -148.81 145.09 27.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.931 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -99.62 151.12 21.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.8 mt -134.54 109.33 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -99.87 121.58 41.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 6.0 p-80 -122.33 127.83 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -137.69 151.97 48.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -100.65 152.85 19.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 72' ' ' THR . 10.0 t -82.57 -39.59 22.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 71' ' ' THR . 21.7 m -49.92 -44.33 50.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.48 162.1 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -95.19 126.26 40.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.77 146.09 5.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -120.76 143.25 48.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.97 124.62 23.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.56 138.6 31.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.1 m -159.78 113.77 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 82' ' ' PRO . 3.7 pp -118.16 137.97 52.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.9 101.61 51.77 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.668 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.6 Cg_endo -69.77 -30.08 22.8 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -43.36 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 53.5 m-80 -141.87 -178.98 5.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 1.9 mt -91.69 43.7 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.432 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 65.6 p-90 -154.39 146.73 23.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.717 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 2.9 t80 -140.1 122.11 15.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.6 tm? -101.32 107.74 19.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.717 ' CE1' ' CD1' ' A' ' 87' ' ' TYR . 86.9 m-85 -89.68 150.73 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' CD1' ' A' ' 88' ' ' LEU . 22.8 p -152.4 148.9 28.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 20.65 8.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.2 173.71 9.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -109.98 153.93 23.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.54 166.23 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 41.12 70.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.7 p -153.03 179.93 8.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -135.49 120.02 18.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -120.6 138.82 53.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.2 m -106.05 160.55 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -147.82 173.6 12.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 113' ' ' PRO . 8.1 tt0 -162.56 140.48 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.711 HG11 ' CB ' ' A' ' 49' ' ' TRP . 42.5 t -127.56 138.2 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -145.13 134.67 23.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -77.11 124.83 28.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.763 ' HG2' HG23 ' A' ' 110' ' ' THR . 17.2 mtm -102.38 144.72 30.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.5 p -127.57 167.58 16.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 17.0 m -54.22 -15.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 26' ' ' ASP . 52.4 m-80 -88.53 -60.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.49 -150.34 6.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.763 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.0 OUTLIER -117.96 128.52 54.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.135 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -72.98 -171.24 19.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 145.4 57.08 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.426 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 53.1 Cg_endo -69.83 128.11 15.5 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 p -61.0 178.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -54.81 142.09 30.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -79.25 92.67 5.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.404 ' CE1' ' CG1' ' A' ' 35' ' ' VAL . 91.2 m-85 -80.72 163.17 23.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.021 0.439 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 49.1 m -145.66 140.6 27.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.57 131.41 44.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -104.73 125.66 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.3 p -63.98 143.89 98.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.482 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.8 108.81 2.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -37.32 -41.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.65 177.27 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.814 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -148.69 167.29 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.07 153.7 7.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -174.69 119.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -124.68 -61.53 1.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.45 -135.87 2.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -171.46 117.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.887 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -124.62 -175.25 3.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -92.77 -60.83 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.36 83.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.67 -158.84 11.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.1 t -140.35 150.51 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.0 m -128.36 152.48 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -140.62 122.75 15.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.4 166.78 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -110.61 172.07 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.7 mt -104.53 135.43 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.4 p -100.0 -179.11 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 p -134.97 116.48 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 22' ' ' VAL . 10.5 p -107.05 39.48 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 141.41 42.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.112 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.68 106.89 19.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -56.3 166.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' CG ' ' OD1' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -94.73 -32.08 13.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.14 157.21 2.32 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.5 Cg_endo -69.76 139.81 41.13 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -113.67 43.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.68 121.8 4.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 160.87 48.11 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.367 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.469 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.81 143.49 50.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -95.72 160.8 14.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.81 54.48 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 35' ' ' VAL . 90.3 t -105.73 82.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -124.09 156.25 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 119' ' ' ALA . 20.4 mt -104.82 135.25 46.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -124.7 105.86 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 98.0 t -66.63 98.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' H ' ' A' ' 46' ' ' LYS . 46.8 t -68.75 -50.07 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' ND2' HG12 ' A' ' 40' ' ' VAL . 80.7 m-20 -155.43 -175.22 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -65.04 -34.61 78.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -119.23 31.63 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -154.97 139.21 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.634 HD12 HD13 ' A' ' 92' ' ' LEU . 95.6 mt -142.56 125.37 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' H ' HG23 ' A' ' 40' ' ' VAL . 22.7 tptp -91.2 132.1 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.51 118.53 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 t -123.27 169.0 11.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 86' ' ' TRP . 40.9 p90 -164.43 164.01 22.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.4 mt -129.53 156.22 78.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 160.53 49.34 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.288 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.53 27.26 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 172.38 12.76 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.707 2.271 . . . . 0.0 112.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.1 p -68.49 147.73 51.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.08 -63.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -59.81 -24.22 63.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.727 0.299 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.56 121.43 15.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -110.39 -50.95 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.66 158.69 14.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -70.73 105.25 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG21 ' CE1' ' A' ' 64' ' ' TYR . 44.1 mt -50.61 120.16 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.5 p -101.41 -6.81 23.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.05 -165.4 38.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.739 ' O ' HD23 ' A' ' 80' ' ' LEU . 46.0 m-85 -144.4 139.78 28.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.975 0.417 . . . . 0.0 110.886 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -89.18 130.98 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.483 HD11 ' CH2' ' A' ' 49' ' ' TRP . 35.5 mt -123.52 104.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtt-85 -101.03 121.09 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -113.6 118.32 34.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.1 ttt-85 -119.09 148.8 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 74.1 tttt -107.22 157.99 17.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.8 t -82.18 7.86 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.1 m -121.67 -57.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -69.09 142.17 54.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -102.46 87.22 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.41 164.49 34.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.536 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.25 103.09 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.372 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.7 tpt -101.57 154.44 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.86 165.84 24.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 m -160.75 113.95 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.876 HD21 ' CE ' ' A' ' 105' ' ' MET . 11.2 mt -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' CD ' ' OD1' ' A' ' 83' ' ' ASN . 3.2 tp10 -133.68 101.65 12.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -21.62 33.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.412 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 81' ' ' GLU . 27.8 m120 -44.54 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -147.73 -177.94 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.579 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 3.8 mt -83.72 34.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 42.1 p-90 -147.02 143.58 28.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -136.76 117.62 14.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -96.01 107.22 19.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -88.89 145.79 25.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.4 p -142.33 160.45 40.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.08 48.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.634 HD13 HD12 ' A' ' 45' ' ' ILE . 11.5 mt -81.82 150.65 27.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.28 135.83 38.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -70.39 150.08 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.02 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.7 m -150.85 163.28 39.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 118' ' ' THR . 31.7 tt0 -110.0 133.35 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 118' ' ' THR . 61.6 m-85 -133.96 145.48 49.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.595 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 3.8 m -114.24 159.43 20.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 99' ' ' SER . 15.1 m-85 -154.34 155.01 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -149.89 122.86 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.532 HG11 ' CB ' ' A' ' 49' ' ' TRP . 93.0 t -97.9 144.06 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.5 p -151.44 138.13 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.503 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -88.47 118.04 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.876 ' CE ' HD21 ' A' ' 80' ' ' LEU . 40.0 mtm -98.15 144.94 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 65.0 p -125.98 177.98 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.26 -13.83 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' A' ' 26' ' ' ASP . 10.0 m-80 -93.11 -68.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -161.08 -150.15 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.584 HG23 ' HG2' ' A' ' 105' ' ' MET . 1.1 m -109.31 125.31 52.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.462 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.15 -164.86 0.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.3 44.85 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.27 32.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.394 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.3 p -81.04 157.06 25.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 11.8 m120 -43.09 135.65 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -76.16 94.17 3.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 49.3 m-85 -85.42 150.29 24.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 97' ' ' GLN . 87.0 m -128.05 146.6 50.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -137.63 130.32 29.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -102.24 135.8 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -84.3 142.48 40.78 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.538 0.685 . . . . 0.0 111.178 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -40.3 -39.97 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -164.48 148.09 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -165.55 172.41 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 178.52 31.74 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -169.32 136.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.821 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -160.09 174.12 14.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.26 129.88 1.08 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -173.37 126.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 ttm105 -173.05 117.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -153.49 176.23 12.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.26 71.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 95.09 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.692 2.261 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.7 97.86 0.36 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -128.79 134.25 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -158.78 113.21 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 m -119.87 124.31 45.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.86 105.68 10.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -106.11 134.31 49.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -134.49 174.3 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -148.83 166.35 28.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -100.44 122.41 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 t -104.47 84.64 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.17 0.16 16.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 mp -94.85 111.5 23.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.9 p -161.79 175.18 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.33 37.28 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.8 157.84 70.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.76 118.1 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 2.218 . . . . 0.0 112.376 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.9 m -90.72 11.4 22.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.93 140.29 37.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.42 18.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -167.93 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -133.18 149.9 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' HD23 ' A' ' 50' ' ' LEU . 44.2 t-20 68.04 50.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.84 91.15 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.7 t -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 100' ' ' PHE . 26.4 mt -120.09 128.84 53.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 45' ' ' ILE . 30.5 tt0 -112.56 127.43 56.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.746 HG11 ' HD3' ' A' ' 122' ' ' PRO . 47.3 t -85.37 111.81 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' CG ' ' A' ' 41' ' ' ASN . 85.6 t -91.82 -36.29 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 40' ' ' VAL . 81.2 m-20 -162.88 176.55 10.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.4 p -72.04 -11.6 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -130.94 0.49 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' HG22 ' A' ' 90' ' ' THR . 3.9 m -131.34 150.36 52.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 38' ' ' GLU . 76.7 mt -153.08 136.21 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -97.54 135.69 39.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.3 t -126.1 117.99 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 p -117.66 166.27 12.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.735 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.1 p90 -168.88 147.89 4.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 34' ' ' ASN . 1.4 mm? -114.12 157.36 42.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.558 0.694 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 158.59 56.47 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.95 17.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.8 Cg_endo -69.72 131.04 20.45 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' PRO . 13.1 m -37.74 -33.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.53 -79.09 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 58' ' ' ASN . 13.2 p -57.97 -25.47 61.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' THR . 4.8 tt0 -36.36 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER -56.37 -43.83 79.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.63 -170.9 25.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.62 96.66 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.777 0.322 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.699 ' H ' HD12 ' A' ' 61' ' ' ILE . 3.6 mp -42.35 112.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -84.17 -46.99 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -150.29 179.89 26.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 39.4 m-85 -127.65 146.25 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -107.23 123.88 48.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.735 HD11 ' CH2' ' A' ' 49' ' ' TRP . 56.4 mt -116.21 107.32 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -106.75 120.32 41.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -121.12 125.35 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -115.03 169.27 9.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 13.9 tptm -119.97 131.69 55.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.472 HG21 ' OE1' ' A' ' 97' ' ' GLN . 68.9 p -63.61 -51.92 63.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -66.32 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 129.88 35.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 mtm105 -82.01 90.7 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.62 155.19 26.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -131.92 149.71 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.1 tpt -149.1 118.01 6.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 1.5 pp20? -93.43 153.25 18.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.459 HG21 ' CE2' ' A' ' 87' ' ' TYR . 17.1 m -157.78 133.88 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.3 pp -127.04 137.5 53.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -133.1 101.56 13.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.682 0.753 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -11.6 31.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -54.72 -60.67 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -140.6 -179.86 6.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.5 mt -95.79 24.2 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -136.96 143.77 43.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 79' ' ' THR . 1.5 t80 -141.19 114.03 8.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tp -92.83 132.71 36.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 26.6 m-85 -114.79 118.05 32.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.44 HG22 ' OG ' ' A' ' 44' ' ' SER . 10.4 p -117.68 152.18 35.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.56 43.03 3.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.4 mt -105.88 169.58 8.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.85 143.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -79.47 141.16 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.24 41.01 80.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -132.65 168.6 18.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.814 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.472 ' OE1' HG21 ' A' ' 71' ' ' THR . 22.6 tt0 -103.92 154.26 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.48 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 90.4 m-85 -154.35 132.84 12.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -111.17 148.29 33.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.747 ' HB2' HD21 ' A' ' 37' ' ' LEU . 87.8 m-85 -134.75 158.02 45.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.486 ' OE1' ' N ' ' A' ' 114' ' ' SER . 1.5 tp-100 -146.87 141.99 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.615 HG11 ' CB ' ' A' ' 49' ' ' TRP . 15.7 t -129.33 128.69 66.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -133.21 133.02 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.77 117.82 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.645 ' CG ' HG23 ' A' ' 110' ' ' THR . 11.2 mtm -100.65 149.87 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.6 p -126.05 -177.88 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.21 -5.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -104.0 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.38 -149.05 4.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.645 HG23 ' CG ' ' A' ' 105' ' ' MET . 2.8 m -125.29 147.09 49.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -82.33 179.09 53.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.44 57.05 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 120.7 7.43 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.27 . . . . 0.0 112.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.486 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 1.0 OUTLIER -63.77 178.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 17.5 m-20 -56.64 131.1 47.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -65.67 118.62 9.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 80.6 m-85 -102.16 136.3 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.408 ' CG2' ' CG ' ' A' ' 97' ' ' GLN . 21.2 m -121.16 140.26 52.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.29 131.84 37.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.051 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.92 148.88 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 47.1 p -96.47 145.85 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.746 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.79 117.68 5.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 27.8 mp0 -44.11 -36.69 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -159.16 141.0 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -167.09 160.65 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.78 176.54 33.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 14.8 t -127.99 89.41 2.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 5' ' ' SER . 38.4 t -35.74 -62.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . 58.46 160.94 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.412 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 8.0 m120 -172.75 110.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -89.03 -175.67 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -132.34 -179.41 5.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.15 79.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.423 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -169.77 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.291 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.57 141.82 13.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -99.26 162.43 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -174.61 133.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.9 p -85.28 -66.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -168.82 178.23 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.62 118.83 8.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.604 ' O ' HD12 ' A' ' 19' ' ' ILE . 2.2 pp -96.78 139.8 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 p -132.1 141.73 49.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.01 96.83 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -107.07 78.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 23' ' ' THR . 24.2 m -114.26 14.62 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 mt -134.75 172.92 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 61.01 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 108' ' ' ASN . 47.5 m-20 -100.23 29.78 4.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.17 160.45 57.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.114 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HG2' ' HD2' ' A' ' 112' ' ' PRO . 53.4 Cg_endo -69.76 175.76 7.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -133.42 21.87 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.84 140.5 12.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.581 0.705 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.47 18.86 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -174.36 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.22 157.42 34.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.551 ' HB2' HD12 ' A' ' 50' ' ' LEU . 11.4 t30 61.09 48.28 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.48 89.77 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.9 t -142.44 155.79 45.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.597 ' CD1' ' HB2' ' A' ' 119' ' ' ALA . 83.1 mt -101.61 138.95 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -128.1 106.36 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG11 ' HD3' ' A' ' 122' ' ' PRO . 61.8 t -80.15 125.82 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD1' ' A' ' 41' ' ' ASN . 36.0 t -107.89 -40.73 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.649 ' OD1' HG12 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -141.49 163.56 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.7 m -63.67 -16.73 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -129.22 16.86 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 m -144.59 138.07 27.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 75.4 mt -145.22 140.07 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -106.59 139.44 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.39 117.24 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -114.37 175.43 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 1.071 ' CH2' HD11 ' A' ' 66' ' ' ILE . 48.2 p90 -170.97 178.92 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 34' ' ' ASN . 36.5 mt -150.03 157.31 37.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.65 68.62 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.652 2.235 . . . . 0.0 112.36 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.37 19.07 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.367 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.77 124.8 11.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' PRO . 47.8 m -35.37 140.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.36 -40.28 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.8 p -89.76 -23.8 21.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 111.102 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -94.33 56.6 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -59.26 -12.16 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.522 ' O ' HG22 ' A' ' 106' ' ' THR . . . -109.82 122.53 6.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLY . 11.9 t80 -36.3 136.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -79.31 132.57 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -110.01 -41.43 4.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -177.8 -154.49 12.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 15.8 m-85 -143.82 136.79 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.908 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -93.64 118.92 32.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.071 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.9 mt -108.14 109.84 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -105.1 114.6 28.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 100' ' ' PHE . 14.1 p-80 -115.25 147.75 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.819 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.6 ptt85 -169.12 163.26 11.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' CE ' ' CE1' ' A' ' 98' ' ' TYR . 24.4 ttmt -98.42 140.49 32.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 72' ' ' THR . 3.5 t -52.0 -45.6 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.423 ' N ' HG23 ' A' ' 71' ' ' THR . 19.4 p -87.65 -71.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 79.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.14 156.64 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.41 56.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.49 128.44 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.563 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.9 mmt -130.15 119.41 22.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.67 134.06 34.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.9 m -159.43 109.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.6 pp -115.78 141.49 48.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -126.13 113.28 23.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.648 0.737 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' ASN . 54.1 Cg_endo -69.76 -38.97 7.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' PRO . 67.3 m-80 -36.41 -66.4 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -135.27 -177.26 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.55 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.9 mt -97.23 17.65 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -127.26 143.81 51.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -138.89 116.72 11.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -93.54 107.36 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.962 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -84.8 148.51 26.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -145.82 135.13 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.99 32.12 1.93 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.2 mt -96.48 -179.62 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -99.7 173.57 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -99.83 163.33 12.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 35.5 58.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 m -139.81 173.53 11.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -115.63 134.25 55.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 118' ' ' THR . 7.5 m-85 -130.44 164.92 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.553 ' C ' ' CD1' ' A' ' 100' ' ' PHE . 24.7 m -138.7 157.98 45.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.824 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 68' ' ' HIS . 34.3 m-85 -152.53 176.6 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' CD1' ' A' ' 116' ' ' TRP . 21.0 tt0 -165.22 141.09 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.612 HG11 ' CB ' ' A' ' 49' ' ' TRP . 16.1 t -119.33 132.8 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -134.45 131.86 38.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.78 119.02 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.3 mtm -94.76 132.72 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 59' ' ' GLY . 7.7 p -107.43 -175.93 2.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 107' ' ' VAL . 8.5 p -61.84 -10.39 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 5.7 t-20 -99.57 -67.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -162.53 -156.57 8.55 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.8 m -87.43 127.66 35.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.14 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.4 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -69.76 -160.59 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD2' ' HG2' ' A' ' 28' ' ' PRO . 53.9 Cg_endo -69.78 133.56 25.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.61 8.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.428 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 79.5 p -65.97 179.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -62.24 135.96 57.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.583 ' CD1' ' NE2' ' A' ' 101' ' ' GLN . 48.9 m95 -73.36 95.35 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -75.98 145.42 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 98' ' ' TYR . 86.7 m -119.79 135.43 54.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -125.31 131.79 52.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -104.39 120.33 40.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.8 p -70.16 143.9 91.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.524 0.678 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.758 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.75 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -49.23 -29.82 6.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -170.39 110.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -120.58 165.21 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.19 -160.65 8.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -174.9 176.06 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -172.49 177.57 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 -178.43 41.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -169.92 -179.13 3.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.67 133.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -143.6 166.81 23.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.01 84.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.428 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.12 2.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.76 144.63 16.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -137.56 138.51 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 p -150.27 165.01 34.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -97.76 -48.71 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.128 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 47.14 39.45 8.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.6 116.01 31.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.798 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER -126.1 148.67 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -135.07 124.62 25.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 m -59.18 165.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.5 t -111.26 90.28 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t -137.33 147.19 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.4 mp -132.4 135.16 45.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.7 m -114.56 -175.03 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' HB3' ' ND2' ' A' ' 108' ' ' ASN . 27.9 m-20 -47.8 -42.6 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.6 m -46.25 152.52 0.81 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.8 157.13 61.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 8.79 11.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.98 132.43 24.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.545 0.688 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 168.63 20.91 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.381 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 178.24 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.7 172.47 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.877 ' HB2' HD12 ' A' ' 50' ' ' LEU . 42.9 t30 50.44 37.2 15.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.9 t -83.88 90.74 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -135.98 168.03 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.752 ' CD2' HG22 ' A' ' 47' ' ' VAL . 19.6 mt -123.82 147.18 47.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -131.87 106.76 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG11 ' HD3' ' A' ' 122' ' ' PRO . 41.2 t -67.35 109.88 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.76 -45.91 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -147.87 -178.93 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 90.2 p -78.61 -13.56 59.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -129.05 4.48 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -139.24 133.15 30.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.433 HG13 HD12 ' A' ' 92' ' ' LEU . 8.8 mt -137.6 136.48 46.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -97.74 136.41 38.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.752 HG22 ' CD2' ' A' ' 37' ' ' LEU . 53.8 t -130.6 118.64 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m -120.31 163.65 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.519 ' CD2' ' O ' ' A' ' 85' ' ' LEU . 48.6 p90 -157.29 -178.87 7.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD12 ' HB2' ' A' ' 34' ' ' ASN . 35.0 mt -149.52 157.57 38.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 160.67 48.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.4 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 161.26 46.61 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -53.66 165.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . . . 77.01 -80.9 1.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' GLY . 10.2 p -35.82 -36.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -57.4 114.78 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.87 -50.11 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.08 171.69 15.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -80.75 107.93 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 77.7 mt -57.03 128.37 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.2 p -106.96 -43.48 4.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -151.0 -148.88 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.503 ' CE1' HD22 ' A' ' 85' ' ' LEU . 53.6 m-85 -153.74 165.67 35.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.885 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -125.39 130.28 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.8 112.54 40.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -101.61 112.33 24.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -123.89 136.61 54.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -146.24 147.79 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.852 ' O ' HG22 ' A' ' 72' ' ' THR . 18.3 tptp -90.09 132.87 35.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 71' ' ' THR . 4.0 t -42.92 92.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.852 HG22 ' O ' ' A' ' 70' ' ' LYS . 8.8 t -160.85 159.6 30.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 73' ' ' ARG . 5.1 tpm_? -46.39 -63.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 74' ' ' ARG . 13.6 mtp-105 -136.3 130.46 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.16 49.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -80.7 171.95 14.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.2 tpt -172.15 134.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 1.2 pp20? -112.5 152.34 28.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.1 m -157.7 118.3 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -107.99 137.43 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 1.2 tt0 -132.72 101.6 14.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.4 Cg_endo -69.78 -21.41 33.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.376 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -44.84 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -128.48 171.55 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 23.9 mt -84.01 16.51 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.8 p-90 -141.76 154.68 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.473 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.2 t80 -134.12 120.09 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 88' ' ' LEU . 1.3 tm? -97.41 108.09 20.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.6 m-85 -90.5 145.56 24.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p -137.62 138.77 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.94 50.37 2.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.445 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.433 HD12 HG13 ' A' ' 45' ' ' ILE . 26.0 mt -106.1 161.24 14.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.756 0.312 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -76.0 142.44 41.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -77.72 156.71 30.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 39.91 59.62 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 m -142.07 161.69 37.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -90.43 142.22 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.588 ' CE1' ' HD3' ' A' ' 70' ' ' LYS . 40.6 m-85 -148.09 121.88 9.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.2 t -105.38 135.75 46.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -125.24 147.13 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.639 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 17.3 tt0 -139.32 141.32 37.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.445 HG11 ' CG ' ' A' ' 49' ' ' TRP . 46.6 t -123.71 145.18 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -144.29 138.03 27.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.26 132.72 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.576 ' HG2' HG23 ' A' ' 110' ' ' THR . 30.3 mtm -109.82 131.29 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.6 p -116.05 158.44 23.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.4 p -39.45 -30.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 26' ' ' ASP . 90.7 m-20 -70.03 -74.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.61 -130.15 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.576 HG23 ' HG2' ' A' ' 105' ' ' MET . 57.9 m -122.23 119.47 31.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.477 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -64.95 165.2 34.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 142.18 47.36 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 54.2 Cg_endo -69.72 -175.18 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.6 p -120.27 172.97 7.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.453 ' O ' ' CD2' ' A' ' 117' ' ' TYR . 8.1 m-20 -41.56 135.84 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.639 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 62.8 m95 -67.03 90.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 115' ' ' ASN . 94.8 m-85 -79.32 141.37 37.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.4 m -126.44 146.01 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.37 131.75 36.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -95.17 137.05 34.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.2 p -85.34 147.49 47.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.2 Cg_endo -69.68 113.36 3.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.425 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -41.92 -35.02 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -125.95 141.64 51.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.903 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -167.12 164.67 15.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 118.4 14.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -43.31 -62.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.878 0.371 . . . . 0.0 110.86 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -171.34 132.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.81 135.29 8.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.51 150.65 49.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.923 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -175.04 140.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -110.56 139.57 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.9 93.94 1.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 166.36 27.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.08 172.52 31.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -105.76 135.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -152.95 157.84 41.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -82.2 155.32 24.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.094 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -113.56 177.7 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -140.19 178.45 7.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 pt -93.6 165.85 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 p -116.32 173.27 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.9 144.81 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.3 49.13 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.7 p -109.16 169.17 8.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -134.8 124.42 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 p -130.28 163.02 27.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.49 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 1.8 m-20 -71.66 -43.08 66.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ASP . 22.6 m -36.82 152.05 0.11 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.728 . . . . 0.0 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.79 165.66 30.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -120.19 -34.35 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -88.92 136.79 30.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.614 0.721 . . . . 0.0 111.095 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.336 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' CG ' ' HB2' ' A' ' 114' ' ' SER . 53.8 Cg_endo -69.78 168.96 20.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.471 ' NE2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mp0 -118.56 172.47 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.788 ' CG ' HD12 ' A' ' 50' ' ' LEU . 4.1 m-80 49.81 41.79 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.0 83.19 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 m -127.31 149.9 49.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.61 HD23 HG13 ' A' ' 47' ' ' VAL . 12.5 mt -109.55 132.14 54.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -105.82 148.44 27.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.1 t -106.99 100.07 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.39 -47.98 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -146.83 -176.35 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p -82.82 -20.06 36.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -109.7 -19.04 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 m -117.51 155.9 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.8 mt -150.45 135.49 10.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -99.05 134.49 41.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.61 HG13 HD23 ' A' ' 37' ' ' LEU . 58.6 t -131.75 117.53 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.7 p -120.95 172.9 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.527 ' CZ2' ' HA ' ' A' ' 85' ' ' LEU . 48.9 p90 -173.4 170.05 4.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.788 HD12 ' CG ' ' A' ' 34' ' ' ASN . 86.1 mt -131.38 153.79 81.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.7 52.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HB2' HG23 ' A' ' 56' ' ' THR . 53.7 Cg_endo -69.79 160.05 51.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HD3' ' NE2' ' A' ' 33' ' ' GLN . 53.7 Cg_endo -69.79 143.52 50.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.309 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.2 t -34.32 -43.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.44 -49.44 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 30' ' ' ALA . 8.8 t -114.56 51.35 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.292 . . . . 0.0 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -120.2 41.88 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 26' ' ' ASP . 16.6 p-10 -59.82 -40.74 89.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.2 143.1 16.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.76 116.34 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 mt -59.71 133.89 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.0 p -120.22 -41.21 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.92 -172.07 22.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 14.7 m-85 -139.09 147.62 42.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.905 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -109.05 114.26 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD11 ' CH2' ' A' ' 49' ' ' TRP . 15.5 mt -101.61 129.32 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -118.8 113.15 20.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.96 119.3 37.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.497 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 6.8 ttt180 -121.24 149.3 43.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HE2' ' CE1' ' A' ' 98' ' ' TYR . 26.1 tptp -107.97 150.24 27.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 t -85.21 16.62 3.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 72' ' ' THR . 3.1 t -96.37 39.11 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' THR . 16.4 mmm180 36.29 53.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.499 ' HG2' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -115.51 -21.48 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.79 -156.14 15.85 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' OE1' ' CB ' ' A' ' 69' ' ' ARG . 8.9 tt0 -137.97 131.11 30.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.1 mtp -106.83 144.82 32.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -97.29 141.85 29.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.7 m -158.34 138.7 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 pp -138.14 150.8 47.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 5.4 tt0 -134.28 101.77 12.15 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 54.0 Cg_endo -69.76 -30.07 22.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' PRO . 32.0 m120 -38.15 -65.05 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -148.82 -179.7 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 30.9 mt -83.48 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -152.83 142.83 22.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 89' ' ' PHE . 2.7 t80 -133.63 117.89 17.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -95.66 118.23 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 87' ' ' TYR . 94.5 m-85 -102.72 149.39 24.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.3 p -142.39 152.68 43.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.01 64.78 2.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.0 mt -124.12 155.78 37.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.33 133.2 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -78.95 145.0 34.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.35 50.74 63.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -139.71 160.12 40.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -99.35 133.81 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.56 ' CE1' ' HE2' ' A' ' 70' ' ' LYS . 26.8 m-85 -127.27 151.72 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.7 m -118.56 138.95 52.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.01 163.66 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -159.62 140.17 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 49' ' ' TRP . 68.8 t -115.05 143.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.5 m -140.58 133.52 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.46 113.44 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.501 ' HG2' HG23 ' A' ' 110' ' ' THR . 69.4 mtm -91.8 134.96 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.8 p -123.75 163.77 20.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.8 p -43.44 -37.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.472 ' ND2' ' CB ' ' A' ' 26' ' ' ASP . 7.5 m120 -69.76 -47.5 62.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.49 -179.52 40.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.501 HG23 ' HG2' ' A' ' 105' ' ' MET . 6.0 m -64.61 133.4 52.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.17 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.423 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -76.94 -170.03 32.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 139.58 40.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 113.98 3.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.626 2.218 . . . . 0.0 112.409 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 7.2 t -58.95 165.21 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 115' ' ' ASN . 9.0 m-80 -47.79 159.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -94.7 95.14 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -81.56 146.14 30.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.9 m -120.9 138.76 53.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.19 134.19 51.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -108.2 125.67 51.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.1 p -82.01 144.7 51.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.569 0.7 . . . . 0.0 111.145 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.524 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.73 111.12 2.72 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -39.32 -41.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 124' ' ' ASN . 13.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -156.26 -175.83 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -146.82 174.9 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.17 -156.76 7.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -153.89 179.52 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 110.807 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -162.6 -179.99 7.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . -124.85 -160.74 10.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.503 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 32.9 m120 -162.61 174.38 12.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -150.46 -175.86 5.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -170.42 178.08 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.15 89.25 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -177.8 2.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.302 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.24 163.23 28.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.5 t -152.95 118.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.7 t -153.75 132.28 12.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 178.55 7.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -148.51 170.47 17.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -132.92 150.44 52.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.3 pt -135.19 141.05 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.2 p -140.36 163.07 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -164.38 146.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.536 ' O ' HG12 ' A' ' 22' ' ' VAL . 39.1 t -120.56 54.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 t -53.0 153.5 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.5 155.16 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p -166.86 -178.19 4.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.0 33.3 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -84.71 152.64 60.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 111.095 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.78 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.1 m -123.24 -14.25 7.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -116.68 143.18 30.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.53 18.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.654 2.236 . . . . 0.0 112.348 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -131.16 161.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.523 ' HB2' HD12 ' A' ' 50' ' ' LEU . 66.6 t30 57.28 45.86 19.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.8 t -91.42 94.97 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 m -144.67 166.19 25.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 119' ' ' ALA . 31.9 mt -118.18 134.35 55.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.23 130.4 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.642 HG11 ' HD3' ' A' ' 122' ' ' PRO . 99.6 t -96.25 103.58 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -86.02 -47.26 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -143.8 -178.64 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -76.93 -22.11 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -120.69 -2.0 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 m -125.53 129.09 49.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.6 mt -130.43 141.41 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HD23 ' A' ' 88' ' ' LEU . 12.4 tptm -109.83 124.21 50.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.1 118.65 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.4 p -122.61 166.57 14.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CH2' HD11 ' A' ' 66' ' ' ILE . 47.1 p90 -170.08 174.85 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 34' ' ' ASN . 14.4 mt -138.5 158.95 69.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HD2' ' CD2' ' A' ' 50' ' ' LEU . 53.3 Cg_endo -69.85 154.64 67.14 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.673 2.249 . . . . 0.0 112.304 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 53.9 Cg_endo -69.77 168.28 22.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.234 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.7 Cg_endo -69.68 131.33 21.12 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' PRO . 23.1 m -36.25 -36.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -39.49 -77.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 30' ' ' ALA . 13.1 t -71.87 -41.27 68.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.164 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 56' ' ' THR . 30.1 tt0 -39.29 92.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -116.87 72.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.26 125.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 100.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 52' ' ' PRO . 50.0 mt -54.94 123.49 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.2 p -91.79 -45.43 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -158.59 -164.93 14.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.774 ' O ' HD23 ' A' ' 80' ' ' LEU . 60.4 m-85 -138.5 145.12 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HD3' ' CE ' ' A' ' 105' ' ' MET . 0.7 OUTLIER -96.73 140.69 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 ' CH2' ' A' ' 49' ' ' TRP . 14.5 mt -137.47 106.52 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -105.17 144.22 32.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 47.7 p-80 -126.14 159.56 32.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -166.66 155.12 10.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 3.7 tppt? -107.28 140.34 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 72' ' ' THR . 8.9 t -49.27 -49.93 41.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.129 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.573 ' N ' HG23 ' A' ' 71' ' ' THR . 0.9 OUTLIER -96.25 58.31 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -166.03 153.25 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -113.76 134.92 54.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.33 164.94 11.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -150.28 117.47 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 73.5 mtp -107.7 173.61 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.67 163.7 32.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.2 m -159.86 109.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.875 HD21 ' CE ' ' A' ' 105' ' ' MET . 10.1 mt -85.45 136.91 33.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -134.99 101.11 11.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.681 0.753 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.6 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PRO . 35.2 m-80 -34.42 -71.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.519 ' HB2' ' CD1' ' A' ' 86' ' ' TRP . 54.6 m-80 -153.12 -177.01 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.692 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -84.62 31.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.519 ' CD1' ' HB2' ' A' ' 84' ' ' ASN . 62.0 p-90 -141.9 144.51 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -138.67 123.53 18.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' HD3' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -106.53 105.45 15.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -87.91 150.33 23.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.3 p -143.04 137.2 29.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.17 57.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.07 170.04 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.779 0.323 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -87.4 155.21 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.5 pttt -87.47 172.02 10.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 94' ' ' LYS . . . 36.27 33.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 11.1 p -113.06 166.54 11.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.728 HE21 HG21 ' A' ' 118' ' ' THR . 61.6 tt0 -109.99 145.9 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.72 ' O ' HG23 ' A' ' 118' ' ' THR . 43.5 m-85 -149.47 158.73 44.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -136.79 137.42 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -131.83 162.33 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.497 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 3.6 pt20 -149.37 165.61 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.0 t -136.95 133.55 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -128.6 117.87 21.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.23 105.19 4.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.875 ' CE ' HD21 ' A' ' 80' ' ' LEU . 21.4 mtm -87.48 138.56 31.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.5 p -124.34 -177.51 3.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 107' ' ' VAL . 8.9 p -54.99 -13.85 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.46 -70.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.77 -145.0 4.22 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 105' ' ' MET . 0.7 OUTLIER -94.3 144.89 25.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 111.124 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.414 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.79 -167.72 43.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.41 13.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.321 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 t -50.02 168.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -49.24 148.51 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.497 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 40.0 m95 -75.83 98.83 4.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -81.5 153.28 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.728 HG21 HE21 ' A' ' 97' ' ' GLN . 82.1 m -138.94 131.34 28.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -118.38 128.11 54.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -94.34 124.13 38.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 48.0 p -71.91 136.31 82.62 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.642 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.233 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.71 -35.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -174.42 125.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -174.89 166.6 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.84 129.42 1.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -174.91 117.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.374 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -174.76 178.2 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.58 -154.61 10.93 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.529 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.58 155.38 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.915 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.91 -175.74 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -123.16 148.44 45.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.32 153.69 17.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -176.86 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.328 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.43 115.87 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -89.26 165.01 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.2 p -171.44 166.29 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.8 p -151.91 176.15 11.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -171.25 172.26 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.61 169.81 12.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 pt -127.72 148.35 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' VAL . 70.2 p -58.06 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.712 ' CG1' HG23 ' A' ' 23' ' ' THR . 83.3 t -35.52 142.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 22' ' ' VAL . 11.7 p -128.99 35.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.712 HG23 ' CG1' ' A' ' 21' ' ' VAL . 33.8 p -39.21 99.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 mt -154.1 177.43 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 m 65.82 50.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -83.82 35.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -99.77 157.33 34.11 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 123.1 9.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.325 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 m -92.9 -38.77 11.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' HB3' HG21 ' A' ' 56' ' ' THR . . . -76.84 141.56 68.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.693 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 164.5 34.23 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.368 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.51 68.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -97.12 160.66 14.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.541 ' HB2' HD12 ' A' ' 50' ' ' LEU . 16.4 t30 65.11 40.17 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 t -91.47 104.93 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -155.38 162.64 40.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 100' ' ' PHE . 13.7 mt -114.53 129.36 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -113.04 124.05 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG11 ' HD3' ' A' ' 122' ' ' PRO . 62.0 t -85.63 116.06 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.0 t -94.6 -45.55 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -150.17 -179.17 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.9 p -73.39 -22.86 60.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -124.2 18.97 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -147.62 133.57 19.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 121' ' ' THR . 91.3 mt -140.47 128.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -96.34 141.8 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -128.7 118.89 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.9 p -116.99 155.95 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.574 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.9 p90 -156.05 170.36 22.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 34' ' ' ASN . 26.5 mt -139.68 155.48 71.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.3 53.91 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.7 69.61 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.378 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -53.73 -23.8 12.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -51.91 -62.53 5.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 30' ' ' ALA . 14.3 t -85.05 -20.11 30.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.769 0.318 . . . . 0.0 111.206 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -49.88 91.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -122.13 41.25 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.71 138.84 3.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.449 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -70.84 104.64 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 61' ' ' ILE . 2.7 mp -48.71 144.21 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 p -122.69 -22.2 5.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.94 -162.62 23.6 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CE1' ' CD2' ' A' ' 85' ' ' LEU . 82.1 m-85 -149.39 143.95 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.961 0.41 . . . . 0.0 110.914 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -99.9 125.43 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.574 HD11 ' CH2' ' A' ' 49' ' ' TRP . 23.0 mt -121.73 107.04 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -100.55 131.88 46.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -134.71 154.92 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -170.65 179.11 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.56 152.75 24.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.5 t -58.67 -13.5 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -102.4 160.11 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -55.47 109.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -150.16 140.85 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -52.9 107.86 0.62 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -44.84 136.01 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 tpt -121.45 109.05 14.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -90.96 143.87 26.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 m -152.52 139.15 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.4 pp -135.57 139.08 43.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 2.7 tt0 -132.57 101.53 14.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.7 Cg_endo -69.74 -26.64 27.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.388 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 82' ' ' PRO . 22.0 m-80 -37.45 -66.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 47.5 m-80 -136.14 -175.74 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.678 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.6 mt -97.17 21.04 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 68.1 p-90 -134.38 146.8 50.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.772 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 2.7 t80 -133.67 128.11 34.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.2 tm? -106.6 107.41 18.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.772 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 84.3 m-85 -98.34 144.36 27.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.42 ' CG2' ' CD1' ' A' ' 88' ' ' LEU . 13.9 p -144.38 150.96 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.04 58.72 1.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -123.59 159.47 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -80.61 123.94 28.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -56.95 143.54 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 62.7 70.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -156.41 171.67 19.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -113.02 139.58 48.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -136.84 150.38 48.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -108.47 159.18 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.564 ' CB ' HD21 ' A' ' 37' ' ' LEU . 85.6 m-85 -150.55 170.45 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 102' ' ' VAL . 8.5 tt0 -169.97 150.07 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.458 HG11 ' CB ' ' A' ' 49' ' ' TRP . 48.2 t -133.37 145.93 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -154.03 120.85 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.05 124.86 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.652 ' HG2' HG23 ' A' ' 110' ' ' THR . 36.7 mtm -103.7 130.34 51.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 46.0 p -111.86 172.58 6.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 p -57.28 -31.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -73.66 -53.38 10.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.18 -168.79 38.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.652 HG23 ' HG2' ' A' ' 105' ' ' MET . 3.5 m -98.9 160.96 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 110' ' ' THR . . . -105.32 -177.4 24.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.55 65.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 135.69 30.95 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.9 p -77.86 166.28 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -46.93 131.26 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -67.84 100.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -81.71 132.3 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.62 147.03 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -136.85 127.4 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -100.67 113.95 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -64.95 144.29 99.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.172 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.611 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.3 Cg_endo -69.72 140.64 43.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.57 -23.06 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -158.95 166.88 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -172.83 134.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.5 -167.26 13.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -173.58 147.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -173.92 137.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.24 123.57 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -173.72 118.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -129.85 140.81 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -173.93 137.32 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.99 84.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -167.74 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.66 98.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.9 t -121.88 128.82 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.7 p -172.86 141.17 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -101.0 172.11 7.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -126.03 137.04 53.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -130.4 94.46 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 pt -139.2 148.71 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.11 151.49 28.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.0 t -130.93 103.07 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.9 m -106.35 42.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.553 HG22 ' N ' ' A' ' 24' ' ' LEU . 44.4 m -136.15 161.74 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.553 ' N ' HG22 ' A' ' 23' ' ' THR . 13.5 mt -93.88 110.68 22.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 m -120.1 178.34 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 -29.54 8.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -37.89 155.29 0.11 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.625 0.726 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 138.54 38.07 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -114.43 43.53 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.93 134.21 8.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.575 0.703 . . . . 0.0 111.035 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.6 24.02 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HG2' HG21 ' A' ' 35' ' ' VAL . 53.8 Cg_endo -69.76 176.03 7.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -114.05 167.2 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.667 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.5 m-20 45.98 51.34 10.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG21 ' HG2' ' A' ' 32' ' ' PRO . 98.1 t -91.19 87.53 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -128.11 163.9 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.44 122.74 41.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -104.94 134.52 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.532 HG11 ' HD3' ' A' ' 122' ' ' PRO . 69.7 t -95.71 101.64 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -82.44 -48.0 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -143.94 -175.89 4.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.8 p -83.21 -18.57 38.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -118.37 -13.8 9.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.406 ' O ' ' CG1' ' A' ' 45' ' ' ILE . 1.6 m -113.6 159.61 19.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' A' ' 44' ' ' SER . 11.4 mt -157.67 143.65 8.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -110.22 126.17 53.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.02 117.89 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.3 p -122.08 177.83 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CG ' HG11 ' A' ' 102' ' ' VAL . 43.2 p90 -174.27 171.62 3.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD12 ' HB2' ' A' ' 34' ' ' ASN . 65.1 mt -134.42 154.09 79.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 156.72 62.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.456 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 53.3 Cg_endo -69.81 170.0 17.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 150.3 68.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.709 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.4 p -57.35 -15.66 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.2 -34.71 45.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.3 p -97.22 -19.78 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.719 0.295 . . . . 0.0 111.099 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 52' ' ' PRO . 59.9 mt-30 -68.74 125.31 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -30.13 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.35 179.39 16.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -83.41 123.83 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 HG22 ' A' ' 106' ' ' THR . 50.9 mm -63.11 118.72 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -101.9 -45.57 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -160.26 -171.51 26.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.673 ' O ' HD23 ' A' ' 80' ' ' LEU . 6.7 m-85 -138.31 128.13 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 0.0 110.925 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -77.53 125.85 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD11 ' CH2' ' A' ' 49' ' ' TRP . 8.1 mt -118.79 107.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -99.61 127.54 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.552 ' CE1' ' HG2' ' A' ' 77' ' ' MET . 0.0 OUTLIER -121.28 155.91 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -154.8 148.8 25.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -113.8 135.0 54.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 97' ' ' GLN . 35.9 p -44.11 -68.01 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.41 ' N ' ' OG1' ' A' ' 71' ' ' THR . 95.5 m -49.59 -56.15 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ARG . 3.1 ptm180 -120.32 104.23 9.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' GLY . 25.5 ptt180 -34.47 -43.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' ARG . . . 33.47 40.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -62.1 120.39 10.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.552 ' HG2' ' CE1' ' A' ' 68' ' ' HIS . 1.9 ptt? -150.89 169.99 20.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -127.68 152.62 47.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.401 HG21 ' CE2' ' A' ' 87' ' ' TYR . 48.1 m -151.31 114.19 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 64' ' ' TYR . 11.7 mt -90.44 140.03 30.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.28 101.37 12.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 83' ' ' ASN . 53.9 Cg_endo -69.72 -39.1 6.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 82' ' ' PRO . 11.6 m120 -34.34 -70.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.84 176.65 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 64' ' ' TYR . 5.4 mt -88.44 31.1 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.453 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 67.6 p-90 -148.66 150.65 33.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.401 ' CE2' HG21 ' A' ' 79' ' ' THR . 5.5 t80 -136.07 110.91 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.81 124.2 30.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.46 152.63 21.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -148.42 158.19 43.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.85 50.99 3.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.0 mt -114.15 152.48 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.323 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -77.17 125.84 29.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -64.55 133.52 52.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.44 47.86 6.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -141.33 155.37 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.498 ' HB3' HG21 ' A' ' 71' ' ' THR . 7.0 tt0 -92.78 139.99 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -139.07 152.5 47.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 146.03 49.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -145.88 153.13 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -146.85 166.88 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.552 HG11 ' CG ' ' A' ' 49' ' ' TRP . 92.2 t -141.37 134.43 30.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 t -130.13 136.53 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.39 129.9 34.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.611 ' CE ' HD11 ' A' ' 80' ' ' LEU . 22.8 mtm -117.85 137.35 52.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.543 HG22 HD13 ' A' ' 61' ' ' ILE . 58.2 p -120.07 174.73 6.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -54.39 -23.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -78.66 -64.33 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.08 -138.08 2.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.8 m -124.79 134.4 52.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -91.83 -166.55 39.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.69 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 159.54 53.07 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 p -76.69 168.39 20.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -57.92 160.39 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -83.1 90.17 7.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -79.93 127.26 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.0 m -103.69 142.35 34.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.83 141.6 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -111.49 125.32 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 p -83.77 141.73 41.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.114 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.532 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.73 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.96 -37.63 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -158.57 175.73 13.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -141.78 174.38 10.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.15 -171.84 20.84 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -174.35 162.06 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -164.78 179.14 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.25 -179.05 17.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -157.9 169.78 23.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.334 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.2 ptp180 -147.54 172.36 14.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 45.5 m-85 -164.3 171.19 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.33 142.16 7.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 178.37 4.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.238 . . . . 0.0 112.337 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.82 89.87 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -56.51 156.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 t -164.44 153.47 13.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 16' ' ' THR . 14.6 t -165.35 123.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -115.16 91.66 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.94 94.17 9.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.7 pt -62.44 113.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.0 p -131.32 109.95 10.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.0 t -129.56 119.53 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 22' ' ' VAL . 1.5 p -103.68 92.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.1 t -139.05 156.82 46.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -98.49 145.61 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.452 ' N ' HD12 ' A' ' 24' ' ' LEU . 3.8 m -118.12 178.68 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 108' ' ' ASN . 58.8 m-20 -118.66 46.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 m -111.63 155.64 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 53.6 Cg_endo -69.77 166.24 28.29 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.638 2.225 . . . . 0.0 112.367 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -127.47 32.66 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -158.94 124.51 2.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.54 0.686 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.6 27.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.391 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.63 49.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -109.5 178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.813 ' HB2' HD12 ' A' ' 50' ' ' LEU . 61.9 t30 50.42 44.61 26.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.5 t -92.2 89.58 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.0 m -129.43 169.96 14.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 119' ' ' ALA . 51.0 mt -118.79 136.34 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -125.49 106.63 9.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.518 HG11 ' HD3' ' A' ' 122' ' ' PRO . 86.3 t -73.79 97.33 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -68.8 -52.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -148.0 178.53 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.7 p -64.1 -23.16 67.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -129.44 30.98 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -155.22 127.41 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 HD12 ' CD1' ' A' ' 92' ' ' LEU . 71.3 mt -137.16 122.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.3 ttmt -98.62 126.79 44.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' CZ3' ' A' ' 49' ' ' TRP . 61.6 t -116.38 121.35 67.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.3 m -113.68 175.37 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.616 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 34.1 p90 -170.71 174.59 4.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.813 HD12 ' HB2' ' A' ' 34' ' ' ASN . 17.1 mt -140.29 157.31 68.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.98 68.3 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.369 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.73 20.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 160.58 49.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.9 t -64.72 156.69 29.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.75 -38.82 3.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.0 p -85.17 -57.92 2.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.63 93.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -66.42 -58.66 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.61 139.26 14.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.535 ' CZ ' HG11 ' A' ' 107' ' ' VAL . 38.9 p90 -54.95 114.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 61' ' ' ILE . 5.1 mp -57.36 123.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 79.9 p -89.37 -42.83 11.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.1 179.61 23.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 20.1 m-85 -126.55 147.05 49.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.914 0.388 . . . . 0.0 110.952 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' C ' HG13 ' A' ' 66' ' ' ILE . 23.3 tttt -102.15 152.47 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 65' ' ' LYS . 15.2 mt -139.99 135.4 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -121.83 122.2 38.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' C ' ' HG3' ' A' ' 69' ' ' ARG . 1.3 p-80 -113.33 144.81 42.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.544 ' HD2' ' CH2' ' A' ' 116' ' ' TRP . 13.6 mtp180 -157.22 158.6 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.527 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 9.7 tttm -116.91 145.66 43.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.5 t -48.89 -28.02 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 72' ' ' THR . 10.1 t -128.29 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.5 tpt85 -168.62 148.6 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.9 mmt-85 -122.64 62.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 64.04 0.27 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' HG2' ' NE ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -64.45 115.23 4.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.868 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.9 tpt -123.54 152.41 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.19 162.94 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 m -158.69 141.86 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.6 pp -119.07 156.28 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -134.21 101.84 12.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.77 -12.62 33.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.228 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -59.53 -75.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -142.43 -175.03 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.61 HD22 ' CE1' ' A' ' 64' ' ' TYR . 2.8 mt -87.65 38.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.428 ' O ' ' CE3' ' A' ' 86' ' ' TRP . 43.0 p-90 -151.89 134.54 15.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.537 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 1.8 t80 -123.5 115.0 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.463 HD23 ' HB2' ' A' ' 46' ' ' LYS . 2.8 tm? -95.96 104.37 16.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.537 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 58.1 m-85 -91.08 147.2 23.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.3 p -142.39 165.89 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.77 44.67 24.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' CD1' HD12 ' A' ' 45' ' ' ILE . 60.8 mt -95.48 156.02 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -85.17 116.53 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -56.79 164.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 51.67 51.94 36.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -156.28 153.04 28.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 20.5 tt0 -95.09 155.97 16.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.527 ' CZ ' ' HD2' ' A' ' 70' ' ' LYS . 61.8 m-85 -151.55 146.79 26.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.4 m -112.17 162.65 15.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -154.36 134.42 13.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.564 ' NE2' ' NE1' ' A' ' 116' ' ' TRP . 34.6 tt0 -137.12 119.79 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.54 HG11 ' CG ' ' A' ' 49' ' ' TRP . 98.6 t -97.79 145.58 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 m -138.92 163.79 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -108.05 111.65 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 80' ' ' LEU . 47.1 mtm -92.98 128.95 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 p -100.9 179.05 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 33.2 m -65.74 -11.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.44 ' CG ' ' HB3' ' A' ' 26' ' ' ASP . 43.7 m-80 -96.52 -72.1 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -157.51 7.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.534 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.2 m -98.18 125.83 43.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.404 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -68.78 178.92 23.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 140.71 43.53 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.6 Cg_endo -69.84 150.82 68.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.461 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 73.8 p -97.97 177.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -44.02 147.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' NE1' ' NE2' ' A' ' 101' ' ' GLN . 44.8 m95 -90.08 99.63 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -85.52 140.98 30.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 m -117.1 148.63 41.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.778 ' HB2' HD13 ' A' ' 37' ' ' LEU . . . -132.52 157.77 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -126.85 133.68 50.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 22.4 p -85.43 135.16 39.0 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.598 0.713 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.518 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.78 115.14 3.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -40.97 -41.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.7 169.47 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -101.76 117.38 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.42 128.37 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -146.42 166.56 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.857 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -132.54 -50.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.57 177.67 44.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -164.46 152.36 12.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ttm105 -170.08 142.91 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -152.26 178.84 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.45 82.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 172.45 12.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.27 152.71 23.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.1 t -59.97 -59.21 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -128.22 141.17 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 17' ' ' ASP . 9.8 t -112.54 -42.34 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 16' ' ' THR . 3.8 m-20 -174.29 117.66 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -141.02 117.57 10.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.3 pt -138.89 159.39 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -133.52 175.18 9.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.7 p -149.25 133.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.4 t -107.66 57.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -101.8 145.53 29.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.38 151.36 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -167.25 167.77 13.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -103.63 23.07 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.17 147.57 95.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.49 60.2 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 m -113.32 -27.1 8.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.34 125.86 75.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.31 42.58 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.2 Cg_endo -69.79 171.61 14.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -114.7 168.07 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.5 t30 60.8 46.72 8.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.3 t -94.31 98.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -153.81 158.85 41.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 119' ' ' ALA . 62.5 mt -103.88 155.59 18.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -138.53 109.72 6.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 HG11 ' HD3' ' A' ' 122' ' ' PRO . 59.9 t -69.52 95.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 46' ' ' LYS . 17.3 t -75.47 -52.15 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -149.5 177.07 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.1 p -62.19 -39.57 93.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -116.36 35.0 4.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -155.21 143.46 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.0 mt -146.63 141.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -112.05 130.61 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.631 HG21 ' CD2' ' A' ' 100' ' ' PHE . 90.2 t -125.81 128.15 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -127.69 165.92 19.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.601 ' CD1' ' CD2' ' A' ' 64' ' ' TYR . 37.2 p90 -159.69 173.93 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -143.73 155.98 59.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 155.62 65.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.82 20.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.57 67.21 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.6 p -51.12 169.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.87 -48.26 3.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.2 p -76.7 -40.54 48.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -40.27 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.38 68.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.29 176.19 14.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -80.37 119.57 23.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.76 87.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.1 p -51.76 -57.05 10.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.97 -161.41 10.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 40.2 m-85 -133.18 127.79 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.959 0.409 . . . . 0.0 110.926 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.488 ' N ' ' CE ' ' A' ' 105' ' ' MET . 0.6 OUTLIER -79.61 122.86 27.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.534 HD11 ' CH2' ' A' ' 49' ' ' TRP . 6.3 mt -117.85 107.13 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -112.38 128.53 56.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -128.19 131.39 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 76' ' ' GLU . 8.3 ptt180 -135.24 141.98 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 71' ' ' THR . 1.3 ttpm? -101.81 150.37 23.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.532 HG23 ' HB3' ' A' ' 97' ' ' GLN . 11.8 p -45.21 -59.72 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 p -98.07 176.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ARG . 5.1 tpt180 66.01 48.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -38.17 112.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 163.1 43.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.83 160.76 0.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.97 131.94 46.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -92.65 130.79 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -142.79 143.94 32.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 82' ' ' PRO . 4.0 pp -135.64 139.98 44.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 3.3 tp10 -130.53 101.63 17.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.8 Cg_endo -69.73 -37.81 8.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -37.84 -69.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -117.46 174.48 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.553 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 8.5 mt -100.65 20.97 14.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -140.5 146.38 38.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.72 117.35 9.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 46' ' ' LYS . 5.3 tp -93.63 121.02 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -100.3 120.85 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 p -115.7 166.22 12.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.75 57.94 3.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -116.0 144.8 43.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -80.58 110.21 15.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -42.03 151.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.47 55.8 21.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -145.5 152.23 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.637 HE21 HG21 ' A' ' 118' ' ' THR . 38.1 tt0 -102.91 111.53 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -112.55 152.14 29.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.5 m -124.77 162.43 24.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.631 ' CD2' HG21 ' A' ' 47' ' ' VAL . 40.8 m-85 -143.27 169.25 17.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.55 ' NE2' ' CE2' ' A' ' 116' ' ' TRP . 34.3 tt0 -161.21 147.19 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.439 HG11 ' CB ' ' A' ' 49' ' ' TRP . 40.9 t -137.93 142.42 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.5 t -150.87 128.06 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.42 114.67 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.914 ' HB3' HG23 ' A' ' 110' ' ' THR . 11.8 ptp -112.58 144.98 41.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.8 p -116.17 -175.48 2.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.3 m -55.04 -22.06 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -77.33 -59.69 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.25 -162.31 24.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.914 HG23 ' HB3' ' A' ' 105' ' ' MET . 0.2 OUTLIER -104.85 116.89 32.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.121 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.63 -172.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 144.26 53.13 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.302 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HB2' ' NE2' ' A' ' 101' ' ' GLN . 53.7 Cg_endo -69.8 142.48 47.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.4 p -80.59 169.69 17.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -43.02 145.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.55 ' CE2' ' NE2' ' A' ' 101' ' ' GLN . 40.9 m95 -84.71 102.22 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -88.25 151.73 22.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.637 HG21 HE21 ' A' ' 97' ' ' GLN . 93.6 m -137.49 144.77 42.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 37' ' ' LEU . . . -140.83 138.86 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.051 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -104.66 131.55 51.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.5 p -78.17 143.28 64.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.538 0.685 . . . . 0.0 111.194 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.577 ' HD3' HG11 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.76 121.74 8.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -47.91 -40.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.2 p30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -168.06 161.29 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -160.45 169.32 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.75 -170.39 19.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -163.38 150.78 12.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -136.52 178.66 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.06 -169.42 11.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -159.86 167.95 26.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -154.34 147.72 25.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -138.85 153.46 48.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.47 147.46 18.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 172.85 11.87 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.18 99.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.3 p -163.82 140.85 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 t -164.95 131.63 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.4 p -113.17 148.57 35.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -160.9 142.1 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -173.25 134.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 pt -109.22 149.1 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -104.06 140.83 37.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.7 t -131.05 138.92 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 22' ' ' VAL . 10.7 p -83.69 55.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -65.86 99.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.2 mt -147.76 138.48 23.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.522 ' HB2' HG22 ' A' ' 27' ' ' VAL . 7.4 p -148.16 149.48 32.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 19.3 p-10 -60.33 -37.13 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 25' ' ' SER . 3.6 m -50.86 155.19 2.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.2 Cg_endo -69.82 113.29 3.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.304 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 m -76.97 -47.07 21.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' THR . . . -68.54 128.49 93.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.555 0.693 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 166.81 26.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.17 44.44 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.62 158.77 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.688 ' HB2' HD12 ' A' ' 50' ' ' LEU . 2.7 t-20 68.01 46.2 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.28 90.27 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.3 t -133.19 163.64 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 100' ' ' PHE . 56.5 mt -107.7 147.37 30.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -126.97 131.48 51.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -100.0 109.23 24.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.0 t -98.48 -44.55 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -148.93 -176.93 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.5 p -73.96 -39.03 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -112.01 30.54 6.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -153.43 131.26 11.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 121' ' ' THR . 70.5 mt -143.41 126.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -92.04 146.85 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.4 t -136.85 119.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 m -118.23 171.57 8.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.974 ' CH2' HD11 ' A' ' 66' ' ' ILE . 49.2 p90 -169.46 164.77 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 34' ' ' ASN . 84.2 mt -133.66 154.43 80.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 168.78 20.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.07 69.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 55' ' ' GLY . 30.8 t -50.62 -54.36 23.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.34 -68.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 30' ' ' ALA . 27.5 p -62.68 -47.22 84.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.758 0.314 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -38.13 99.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.67 35.92 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -177.47 38.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -103.13 105.25 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.65 131.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -117.18 -40.49 3.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -161.25 -162.2 12.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -144.92 154.54 42.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.0 110.928 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -117.04 124.14 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.974 HD11 ' CH2' ' A' ' 49' ' ' TRP . 11.1 mt -112.31 114.64 47.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 12.3 ttm105 -115.12 124.42 51.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -110.55 141.54 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 2.2 ttp180 -118.82 148.59 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 19.4 tptp -110.33 129.92 55.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.406 ' H ' HG22 ' A' ' 71' ' ' THR . 0.0 OUTLIER -43.49 -30.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' ARG . 82.8 p -70.59 -176.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' THR . 40.1 ttt180 -37.55 156.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -41.96 162.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.44 61.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -84.9 118.74 24.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 40.6 tpp -104.85 119.03 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -90.66 127.38 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -143.79 132.11 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.1 pp -124.65 142.37 51.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 4.0 tp10 -133.83 102.28 12.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 81' ' ' GLU . 53.6 Cg_endo -69.79 -29.81 23.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -38.1 -65.51 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 86' ' ' TRP . 57.4 m-80 -141.32 179.3 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 49' ' ' TRP . 3.2 mt -91.64 29.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 84' ' ' ASN . 62.2 p-90 -141.03 141.4 34.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.555 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.0 t80 -134.07 118.09 17.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -95.92 109.27 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CD1' ' A' ' 87' ' ' TYR . 72.4 m-85 -92.88 144.58 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 39.0 p -139.29 159.93 41.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.06 56.11 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.499 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.6 mt -113.62 164.28 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.312 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -85.5 150.12 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.35 147.77 25.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.42 42.53 95.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.6 m -131.0 -175.68 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.563 ' NE2' HG21 ' A' ' 118' ' ' THR . 55.2 tt0 -122.58 145.17 48.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 70' ' ' LYS . 56.9 m-85 -144.25 131.03 20.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.7 m -100.13 157.16 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.577 ' HB2' HD21 ' A' ' 37' ' ' LEU . 96.4 m-85 -152.1 158.18 42.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -153.69 167.79 28.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 58.8 t -138.37 139.23 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.1 p -138.23 133.39 33.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 119.51 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.4 ' HG3' HG23 ' A' ' 110' ' ' THR . 22.5 mtm -97.92 137.66 36.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.8 p -126.72 177.4 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -55.16 -17.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -88.28 -60.82 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.17 -126.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 105' ' ' MET . 4.3 m -132.01 144.72 50.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.183 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.48 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -83.5 -173.94 50.04 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.533 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.96 55.83 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 111.58 2.86 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASN . 98.3 p -49.55 161.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 117' ' ' TYR . 81.5 m-20 -37.7 146.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.7 m95 -80.55 91.2 5.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 59.3 m-85 -79.72 146.26 32.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.563 HG21 ' NE2' ' A' ' 97' ' ' GLN . 18.5 m -134.23 149.54 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.46 131.96 20.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -92.86 126.97 38.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 45' ' ' ILE . 68.0 p -74.7 143.28 78.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.559 0.695 . . . . 0.0 111.16 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 124.04 10.69 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.727 2.285 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.16 -41.05 17.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -173.03 172.97 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -126.3 172.59 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.75 152.77 5.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.55 137.67 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -126.38 -177.55 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.47 171.61 23.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -165.25 173.89 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 4.1 ptm85 -173.53 123.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -162.55 174.98 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.77 91.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.23 4.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.51 110.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.4 t -143.6 117.49 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 t -145.23 153.74 41.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -144.36 171.23 14.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -167.15 119.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -157.46 117.86 3.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 pt -140.86 140.7 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 p -144.22 110.57 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.5 m -58.13 174.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.1 t -105.74 91.12 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -132.78 147.74 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -109.91 121.88 46.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 m -97.99 160.47 14.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.444 ' HB2' ' CG ' ' A' ' 108' ' ' ASN . 1.7 m-20 -105.68 23.19 14.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.24 152.61 95.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.77 157.64 59.68 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.37 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.1 t -112.82 -16.38 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.66 123.59 38.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.662 0.744 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 169.79 18.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.02 69.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -104.22 174.17 5.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.711 ' CB ' HD23 ' A' ' 50' ' ' LEU . 29.0 m-20 44.87 50.73 8.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' ' CZ ' ' A' ' 117' ' ' TYR . 92.9 t -99.23 85.74 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 160.59 32.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' HG22 ' A' ' 47' ' ' VAL . 8.7 mt -115.28 158.03 22.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' ILE . 21.7 tt0 -134.13 143.0 47.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG11 ' HD3' ' A' ' 122' ' ' PRO . 64.6 t -93.55 100.02 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.656 HG12 ' ND2' ' A' ' 41' ' ' ASN . 99.4 t -78.72 -46.28 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.656 ' ND2' HG12 ' A' ' 40' ' ' VAL . 75.6 m-20 -157.62 178.86 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -70.37 -15.91 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -129.56 10.65 5.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 m -140.66 140.13 34.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 38' ' ' GLU . 44.7 mt -141.34 129.67 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -91.65 135.48 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 37' ' ' LEU . 76.9 t -129.64 147.83 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -149.99 170.68 18.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.825 ' C ' HD22 ' A' ' 50' ' ' LEU . 44.0 p90 -168.65 162.7 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.825 HD22 ' C ' ' A' ' 49' ' ' TRP . 3.7 mm? -132.56 154.51 81.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.81 40.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 168.48 21.45 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 134.42 28.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.1 p -46.07 114.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.48 -9.02 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -125.79 5.24 7.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.738 0.304 . . . . 0.0 111.116 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -107.08 43.18 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -37.79 -52.09 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.23 134.21 13.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -57.11 97.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.6 mt -46.06 127.59 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -104.54 -43.68 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -159.54 -163.88 13.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.679 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 1.2 m-85 -133.9 156.75 47.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.981 0.42 . . . . 0.0 110.881 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.87 122.73 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.81 HD11 ' CH2' ' A' ' 49' ' ' TRP . 10.7 mt -110.15 119.23 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -120.82 142.26 49.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -138.46 154.63 48.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -145.91 148.56 32.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -103.35 140.3 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 p -49.73 -31.52 11.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.6 p -61.15 -176.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ARG . 45.2 mtp180 -40.93 152.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' ARG . 84.6 mtt180 -36.82 152.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.41 43.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.99 155.97 40.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.4 mmm -149.11 167.83 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -136.29 132.51 35.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.1 m -151.5 140.25 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD22 ' HE1' ' A' ' 105' ' ' MET . 4.4 pp -124.41 152.16 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -136.16 104.67 9.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -29.03 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -42.9 -70.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -140.24 174.33 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.679 HD22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -85.85 26.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -139.1 143.28 38.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CE1' ' A' ' 89' ' ' PHE . 2.5 t80 -134.39 108.54 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.452 HD13 HG23 ' A' ' 90' ' ' THR . 2.0 tm? -88.71 104.86 17.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.444 ' CE1' ' CE1' ' A' ' 87' ' ' TYR . 56.9 m-85 -85.99 145.08 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 88' ' ' LEU . 68.9 p -142.39 157.93 44.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.5 45.9 6.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.17 175.92 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -102.16 151.77 21.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -91.04 164.03 14.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 58.01 38.59 89.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -131.99 172.93 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -122.27 112.19 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -113.37 157.01 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.5 t -132.88 164.08 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.504 ' HB2' HD21 ' A' ' 37' ' ' LEU . 93.0 m-85 -144.28 166.53 24.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.596 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 8.9 tt0 -156.09 139.58 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 49' ' ' TRP . 77.5 t -122.9 136.67 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.91 140.06 46.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.09 115.7 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.719 ' CG ' HG23 ' A' ' 110' ' ' THR . 34.7 mtm -92.64 140.62 29.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.3 p -123.66 159.21 29.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -44.59 -23.41 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.444 ' CG ' ' HB2' ' A' ' 26' ' ' ASP . 57.0 m-80 -88.45 -72.8 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -147.45 -178.58 22.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.719 HG23 ' CG ' ' A' ' 105' ' ' MET . 1.2 m -76.94 156.91 31.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 111.132 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -94.34 -176.83 38.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.1 52.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 101' ' ' GLN . 53.8 Cg_endo -69.75 115.1 3.93 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.655 2.237 . . . . 0.0 112.352 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -61.15 166.2 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.411 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 6.4 t-20 -42.1 161.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.596 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 63.1 m95 -101.79 92.58 4.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.432 ' O ' HD11 ' A' ' 37' ' ' LEU . 68.8 m-85 -81.34 119.54 23.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 14.5 m -97.47 136.53 37.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -123.93 130.69 53.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -98.91 126.4 44.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.6 p -78.42 146.74 70.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.591 0.71 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.84 108.17 2.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -39.93 -38.04 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -170.51 177.43 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 p -162.06 178.17 9.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.14 -166.55 13.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.3 p -173.13 172.63 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -173.16 174.13 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.05 169.45 28.1 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -166.71 173.6 9.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -163.16 154.06 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -128.3 -55.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.08 126.68 5.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 176.33 6.93 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.648 2.232 . . . . 0.0 112.31 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.99 124.27 3.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.62 167.84 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -173.0 127.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -147.49 116.98 7.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -172.77 121.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -127.89 172.01 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.6 mt -97.79 133.91 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.9 p -144.34 154.58 43.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.8 t -136.97 112.08 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 22' ' ' VAL . 12.9 p -96.24 46.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.1 t -46.6 143.81 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -130.15 46.27 2.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.3 p -150.1 150.66 32.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 58' ' ' ASN . 64.8 m-20 -109.91 27.38 9.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 m -77.03 151.81 82.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.653 0.739 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' ' CA ' ' A' ' 111' ' ' GLY . 53.3 Cg_endo -69.77 174.01 10.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.619 2.213 . . . . 0.0 112.361 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 t -129.96 -3.29 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 131.42 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 164.84 33.01 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.76 26.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -119.14 162.22 18.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.562 ' HB2' HD12 ' A' ' 50' ' ' LEU . 3.8 t-20 67.83 31.67 5.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -86.88 91.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 m -135.34 168.11 19.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.59 147.85 43.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -133.02 131.75 41.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.41 HG11 ' HD3' ' A' ' 122' ' ' PRO . 87.5 t -87.85 100.83 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.663 HG12 ' ND2' ' A' ' 41' ' ' ASN . 95.1 t -79.23 -44.73 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.663 ' ND2' HG12 ' A' ' 40' ' ' VAL . 73.5 m-80 -152.93 -177.18 6.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.4 p -70.71 -25.01 62.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -125.88 16.96 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -140.46 132.09 27.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.84 133.83 53.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -100.36 141.2 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.5 t -141.44 132.14 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.9 m -130.21 -178.7 4.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.851 ' CH2' HD11 ' A' ' 66' ' ' ILE . 46.4 p90 -171.6 171.27 5.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 34' ' ' ASN . 47.7 mt -141.35 156.13 67.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 156.69 62.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 139.64 41.0 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 96.6 p -45.08 168.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.92 -55.34 4.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' GLN . 49.5 p -70.3 -41.13 73.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 111.158 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' THR . 73.7 mt-30 -37.56 135.29 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 26' ' ' ASP . 0.1 OUTLIER -105.26 -52.55 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.26 155.31 21.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -50.96 111.39 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.493 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 20.9 mt -55.02 106.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.4 p -84.33 -35.83 22.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 64' ' ' TYR . . . -162.29 -169.15 25.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.491 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 2.6 m-85 -137.95 136.87 37.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.918 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -94.71 116.46 28.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.851 HD11 ' CH2' ' A' ' 49' ' ' TRP . 16.7 mt -107.13 116.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -111.3 130.62 55.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 100' ' ' PHE . 26.5 p80 -134.15 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.15 164.66 16.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.8 145.43 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 97' ' ' GLN . 2.8 p -59.79 163.11 4.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.7 m 40.35 29.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -145.74 111.16 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -76.63 129.71 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.04 148.8 7.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -131.45 136.68 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.6 mmm -99.62 118.01 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.88 126.24 35.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.7 m -142.77 138.82 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.651 HD22 ' HE3' ' A' ' 105' ' ' MET . 4.5 pp -125.34 151.86 45.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -133.36 101.67 13.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HD3' HD12 ' A' ' 80' ' ' LEU . 54.0 Cg_endo -69.77 -27.69 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.258 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -45.73 -69.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 -132.0 -179.2 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 12.9 mt -89.93 27.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . 41.6 p-90 -145.94 158.01 43.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -135.86 117.05 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.91 104.68 16.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 p -144.18 145.74 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.25 57.4 1.57 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.442 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.89 172.69 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.794 0.331 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -98.05 131.27 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -71.09 143.09 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 69.36 38.18 80.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -131.07 166.74 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.688 ' HB3' HG21 ' A' ' 71' ' ' THR . 29.6 tt0 -113.35 130.96 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -134.99 145.35 48.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 p -122.31 156.72 33.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 68' ' ' HIS . 94.3 m-85 -137.51 178.55 7.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -162.36 156.81 21.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.474 HG11 ' CB ' ' A' ' 49' ' ' TRP . 46.2 t -135.46 142.88 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -145.39 136.61 24.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.74 104.1 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.687 ' HG2' HG23 ' A' ' 110' ' ' THR . 48.6 mtm -88.57 121.42 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 159.0 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -45.56 -21.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.439 ' CG ' ' HB2' ' A' ' 26' ' ' ASP . 37.6 m-20 -76.29 -45.45 32.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 179.48 -122.73 0.81 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' HG2' ' A' ' 105' ' ' MET . 25.5 m -130.11 119.52 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.139 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.473 ' CA ' ' HG2' ' A' ' 28' ' ' PRO . . . -62.23 -178.27 3.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 148.28 64.23 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 144.4 54.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 t -88.8 177.9 6.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.503 ' HB2' ' CE1' ' A' ' 117' ' ' TYR . 34.2 m120 -56.81 155.49 7.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 63.9 m95 -94.29 91.33 6.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 115' ' ' ASN . 95.8 m-85 -84.01 140.94 31.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.7 m -119.45 148.1 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.8 130.13 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -96.82 134.12 40.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -83.81 143.71 43.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.578 0.704 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.76 117.52 5.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -40.41 -42.3 1.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t -164.24 157.92 18.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -174.59 169.66 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.98 175.26 44.13 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -174.12 173.32 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 p -174.68 178.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 8' ' ' ASN . . . 158.88 113.5 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 35.6 m120 -163.28 179.7 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.87 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -123.0 163.0 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -116.16 173.71 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.87 -158.83 19.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -167.87 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . . . 173.69 40.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' GLY . 60.7 t -35.62 106.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -95.41 164.22 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.4 p -145.11 151.86 39.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -94.14 151.57 19.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 20' ' ' THR . 9.6 t0 -149.46 173.54 13.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 19' ' ' ILE . 6.5 mt 42.18 38.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 18' ' ' ASP . 40.9 p -113.63 114.15 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -139.34 141.1 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.5 m -109.21 82.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' THR . 4.5 m -87.68 26.45 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 mp -115.67 100.19 7.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -152.62 -175.07 5.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 108' ' ' ASN . 0.7 OUTLIER -109.32 65.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.69 157.16 76.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' HA3' ' A' ' 111' ' ' GLY . 54.2 Cg_endo -69.79 170.62 16.19 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.285 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -128.99 11.04 5.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.15 122.04 19.97 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.599 0.714 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 166.28 28.09 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HG3' HG12 ' A' ' 102' ' ' VAL . 53.6 Cg_endo -69.76 153.1 69.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.758 2.306 . . . . 0.0 112.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -97.26 170.4 9.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' HB3' HD23 ' A' ' 50' ' ' LEU . 11.0 t-20 48.02 48.55 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' PRO . 48.8 t -95.05 95.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 t -140.53 169.41 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 47' ' ' VAL . 87.5 mt -116.32 159.15 22.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -148.98 119.85 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.939 HG11 ' HD3' ' A' ' 122' ' ' PRO . 66.9 t -90.81 110.47 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 t -87.8 -44.24 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -138.08 163.28 32.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.2 p -58.97 -24.67 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 25.16 6.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -147.78 123.09 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.449 HD11 HG22 ' A' ' 121' ' ' THR . 53.1 mt -134.59 133.07 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' HB2' HD23 ' A' ' 88' ' ' LEU . 23.6 tttp -103.12 147.79 26.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 37' ' ' LEU . 85.3 t -134.28 122.45 40.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.4 m -118.74 159.33 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 1.069 ' CH2' HD11 ' A' ' 66' ' ' ILE . 44.8 p90 -156.16 141.72 17.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 34' ' ' ASN . 3.6 mm? -109.22 158.75 33.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.556 0.693 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.19 68.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 61' ' ' ILE . 54.2 Cg_endo -69.74 168.91 20.16 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 134.59 28.38 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 t -43.71 140.28 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 104.47 -61.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 58' ' ' ASN . 16.4 p -55.13 -52.48 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.717 0.294 . . . . 0.0 111.189 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 81.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.0 t30 -76.95 58.67 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.05 -176.77 43.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -98.21 108.14 20.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.59 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 79.3 mt -64.36 77.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -26.43 61.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.11 -160.14 23.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.59 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 39.1 m-85 -142.07 154.97 45.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -114.12 145.17 42.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.069 HD11 ' CH2' ' A' ' 49' ' ' TRP . 13.4 mt -126.02 104.1 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB3' ' CG ' ' A' ' 101' ' ' GLN . 3.8 tpp85 -91.94 120.34 32.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 77' ' ' MET . 7.6 p-80 -125.08 165.5 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -162.38 166.45 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' HE3' ' CZ ' ' A' ' 98' ' ' TYR . 19.3 tptm -110.53 148.52 31.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 97' ' ' GLN . 55.1 p -43.5 -33.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 t -51.93 152.16 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -52.38 -63.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -100.06 104.83 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.59 50.77 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -104.77 112.99 26.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.512 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 4.1 mmt -120.15 158.03 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -117.21 147.96 42.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.4 m -157.04 135.39 11.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 80' ' ' LEU . 4.3 pp -135.61 144.78 46.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.58 101.63 11.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.438 ' HD3' HD12 ' A' ' 80' ' ' LEU . 53.9 Cg_endo -69.74 -29.82 23.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -39.1 -64.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -135.84 -175.69 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 64' ' ' TYR . 6.5 mt -97.26 24.2 6.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HE3' ' A' ' 46' ' ' LYS . 61.3 p-90 -141.34 141.62 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -133.19 132.11 41.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.53 ' C ' HD13 ' A' ' 88' ' ' LEU . 3.5 tm? -112.03 111.08 21.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -90.14 148.03 23.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.481 HG23 ' CD1' ' A' ' 88' ' ' LEU . 76.6 p -145.04 136.78 25.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.88 36.87 1.95 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.78 172.93 7.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -96.58 139.37 32.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -74.59 143.8 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 64.6 47.95 78.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 m -143.61 167.83 21.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.32 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 98' ' ' TYR . 24.6 tt0 -106.84 158.83 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.486 ' CZ ' ' HE3' ' A' ' 70' ' ' LYS . 32.5 m-85 -153.73 140.52 19.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.8 m -107.69 148.07 29.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -147.21 167.35 24.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.475 ' NE2' ' CZ2' ' A' ' 116' ' ' TRP . 1.7 pt20 -165.85 170.54 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.547 HG11 ' CB ' ' A' ' 49' ' ' TRP . 63.8 t -136.79 138.22 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.2 m -135.19 125.45 26.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.33 110.36 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.424 ' HE2' ' C ' ' A' ' 64' ' ' TYR . 16.2 mtm -86.0 124.09 32.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ASN . 18.8 p -108.08 156.52 19.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.3 p -39.39 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' THR . 70.2 m-80 -81.1 -68.33 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.0 -176.71 36.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.99 139.9 58.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' HA3' ' HG2' ' A' ' 28' ' ' PRO . . . -88.41 -164.85 40.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.79 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.6 p -48.47 170.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -52.09 144.37 12.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.475 ' CZ2' ' NE2' ' A' ' 101' ' ' GLN . 76.0 m95 -76.41 92.09 3.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -82.06 132.73 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 98' ' ' TYR . 49.7 m -111.75 142.44 44.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.29 140.3 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -104.44 128.29 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.449 HG22 HD11 ' A' ' 45' ' ' ILE . 68.8 p -82.73 140.43 43.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.939 ' HD3' HG11 ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.8 120.13 6.96 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.3 -32.78 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.917 . . . . . . . . 0 0 . 1 stop_ save_